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| 中文名 | N-Boc-4,5-脱氢-L-亮氨酸二环己基胺盐 |
|---|---|
| 英文名 | N-Boc-4,5-dehydro-L-leucine dicyclohexylamine salt |
| 中文别名 | N-Boc-4,5-去氢-L-亮氨酸二盐酸盐 |
| 英文别名 |
4-Methylene-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-norvaline - N-cyclohexylcyclohexanamine (1:1)
L-Norvaline, N-[(1,1-dimethylethoxy)carbonyl]-4-methylene-, compd. with N-cyclohexylcyclohexanamine (1:1) N-cyclohexylcyclohexanamine,(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid MFCD00237524 |
| 描述 | Boc-4,5-脱氢Leu-OH(二环己基铵)盐是亮氨酸衍生物[1]。 |
|---|---|
| 相关类别 | |
| 体外研究 | 氨基酸和氨基酸衍生物已被商业化用作能量补充剂。它们影响合成代谢激素的分泌、运动期间的燃料供应、压力相关任务期间的精神表现,并防止运动引起的肌肉损伤。它们被认为是有益的能生膳食物质[1]。 |
| 参考文献 |
| 沸点 | 365ºC at 760 mmHg |
|---|---|
| 熔点 | 148-153ºC |
| 分子式 | C23H42N2O4 |
| 分子量 | 410.591 |
| 闪点 | 174.5ºC |
| 精确质量 | 410.314453 |
| PSA | 87.66000 |
| LogP | 5.95370 |
| 外观性状 | 固体 |
| 储存条件 | -15°C冷藏、密闭、干燥处、惰性气体的环境中 |
| 稳定性 | 按规定使用和贮存的不会分解，避氧化物、潮湿 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:3 3.氢键受体数量:5 4.可旋转化学键数量:8 5.互变异构体数量:2 6.拓扑分子极性表面积87.7 7.重原子数量:29 8.表面电荷:0 9.复杂度:407 10.同位素原子数量:0 11.确定原子立构中心数量:1 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:2 |
| 更多 | 1. 性状：灰白色粉末 2. 密度（g/mL25 ºC）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：146-150 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC0.35mmHg）：未确定 7. 折射率：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,）：未确定 12. 饱和蒸气压（kPa,60ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（正辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定 |
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SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: Boc-4,5-dehydro-Leu-OH (dicyclohexylammonium) salt REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later
registration deadline. CAS-No.: 87720-54-5 SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Serious eye damage (Category 1), H318 Specific target organ toxicity - single exposure (Category 3), H335 Acute aquatic toxicity (Category 1), H400 For the full text of the H-Statements mentioned in this Section, see Section 16. Classification according to EU Directives 67/548/EEC or 1999/45/EC Xn, N Harmful, Dangerous for the R22, R37/38, R41, R50/53 environment For the full text of the R-phrases mentioned in this Section, see Section 16. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordDanger Hazard statement(s) Harmful if swallowed. Causes skin irritation. Causes serious eye damage. May cause respiratory irritation. Very toxic to aquatic life. Precautionary statement(s) Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. Avoid release to the environment. Wear protective gloves/ eye protection/ face protection. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Supplemental Hazardnone Statements Other hazards - none SECTION 3: Composition/information on ingredients Substances Synonyms: Boc-4,5-dehydro-L-leucine(dicyclohexylammonium) salt (S)-2-(Boc-amino)-4-methyl-4-pentenoic acid(dicyclohexylammonium) salt Formula: C11H19NO4·C12H23N Molecular Weight: 410,59 g/mol CAS-No.: 87720-54-5 Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration Boc-4,5-dehydro-Leu-OH dicyclohexylamine salt CAS-No.87720-54-5Acute Tox. 4; Skin Irrit. 2; Eye<= 100 % Dam. 1; STOT SE 3; Aquatic Acute 1; H302, H315, H318, H335, H400 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration Boc-4,5-dehydro-Leu-OH dicyclohexylamine salt CAS-No.87720-54-5Xn, N, R22 - R37/38 - R41 -<= 100 % R50/53 For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16 SECTION 4: First aid measures Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx) Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store under inert gas. Moisture sensitive. Specific end use(s) Apart from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Full contact Material: Nitrile rubber Minimum layer thickness: 0,11 mm Break through time: 480 min Splash contact Material: Nitrile rubber Minimum layer thickness: 0,11 mm Break through time: 480 min test method: EN374 If used in solution, or mixed with other substances, and under conditions which differ from EN 374, contact the supplier of the CE approved gloves. This recommendation is advisory only and must be evaluated by an industrial hygienist and safety officer familiar with the specific situation of anticipated use by our customers. It should not be construed as offering an approval for any specific use scenario. Body Protection Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face particle respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: powder Colour: off-white b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezing146 - 150 °C point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects Very toxic to aquatic life. SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: 3077IMDG: 3077IATA: 3077 UN proper shipping name ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Boc-4,5-dehydro-Leu- OH dicyclohexylamine salt) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Boc-4,5-dehydro-Leu- OH dicyclohexylamine salt) IATA:Environmentally hazardous substance, solid, n.o.s. (Boc-4,5-dehydro-Leu-OH dicyclohexylamine salt) Transport hazard class(es) ADR/RID: 9IMDG: 9IATA: 9 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: yesIMDG Marine pollutant: yesIATA: yes Special precautions for user Further information EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids. SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment Skin Irrit.Skin irritation STOT SESpecific target organ toxicity - single exposure Full text of R-phrases referred to under sections 2 and 3 NDangerous for the environment XnHarmful R22Harmful if swallowed. R37/38Irritating to respiratory system and skin. R41Risk of serious damage to eyes. R50/53Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Further information only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any SECTION 16 - ADDITIONAL INFORMATION N/A |
| 符号 |
GHS05, GHS07, GHS09 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H302-H315-H318-H335-H400 |
| 警示性声明 | P261-P273-P280-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xn,N |
| 风险声明 (欧洲) | R22 |
| 安全声明 (欧洲) | S26-S39-S60-S61 |
| 危险品运输编码 | UN 3077 9/PG 3 |
| WGK德国 | 3 |
| 包装等级 | III |
| 海关编码 | 2924299090 |
| 海关编码 | 2924299090 |
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| 中文概述 | 2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 包装 |
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |