3-哌啶甲酰胺结构式
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常用名 | 3-哌啶甲酰胺 | 英文名 | Nipecotamide |
|---|---|---|---|---|
| CAS号 | 4138-26-5 | 分子量 | 128.172 | |
| 密度 | 1.1±0.1 g/cm3 | 沸点 | 311.7±31.0 °C at 760 mmHg | |
| 分子式 | C6H12N2O | 熔点 | 103-106 °C(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 142.3±24.8 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
| 中文名 | 3-哌啶甲酰胺 |
|---|---|
| 英文名 | nipecotamide |
| 中文别名 | 3-吡啶酰胺 | 呱啶甲酰胺 |
| 英文别名 | 更多 |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 311.7±31.0 °C at 760 mmHg |
| 熔点 | 103-106 °C(lit.) |
| 分子式 | C6H12N2O |
| 分子量 | 128.172 |
| 闪点 | 142.3±24.8 °C |
| 精确质量 | 128.094955 |
| PSA | 55.12000 |
| LogP | -0.99 |
| InChIKey | BVOCPVIXARZNQN-UHFFFAOYSA-N |
| SMILES | NC(=O)C1CCCNC1 |
| 外观性状 | 黄色结晶粉末 |
| 蒸汽压 | 0.0±0.7 mmHg at 25°C |
| 折射率 | 1.483 |
| 储存条件 | 避光,通风干燥处,密封保存 |
| 稳定性 | 常温常压下稳定 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:2 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:3 6.拓扑分子极性表面积55.1 7.重原子数量:9 8.表面电荷:0 9.复杂度:114 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:1 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:1 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xi:Irritant; |
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S37/39 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
| 海关编码 | 2933399090 |
|
~99%
3-哌啶甲酰胺 4138-26-5 |
| 文献:SUMITOMO CHEMICAL COMPANY, LIMITED Patent: US2012/123128 A1, 2012 ; Location in patent: Page/Page column 3 ; |
|
~%
3-哌啶甲酰胺 4138-26-5 |
| 文献:Fox Journal of Organic Chemistry, 1952 , vol. 17, p. 547,553 |
| 3-哌啶甲酰胺上游产品 2 | |
|---|---|
| 3-哌啶甲酰胺下游产品 10 | |
| 海关编码 | 2933399090 |
|---|---|
| 中文概述 | 2933399090. 其他结构含非稠合吡啶环的化合物. 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:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Effects of sodium n-dipropylacetate, muscimol hydrobromide and (R,S) nipecotic acid amide on isolation-induced aggressive behavior in mice.
Psychopharmacology 70(3) , 287-90, (1980) An inhibitor of GABA-T (sodium n-dipropylacetate), a GABA agonist (muscimol hydrobromide) and an inhibitor of GABA uptake (R,S) nipecotic acid amide were administered to DBA/2 isolated aggressive mice... |
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Gabaergic modulation of mouse-killing in the rat.
Psychopharmacology 83(4) , 367-72, (1984) When GABA-potentiating compounds were administered IP to rats with prior experience of mouse-killing behaviour, a reduction of killing was observed with gamma-vinyl GABA (200 and 400 mg/kg) and nipeco... |
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Relationships between the chemical constitution of carbamoylpiperidines and related compounds, and their inhibition of ADP-induced human blood platelet aggregation.
Thromb. Res. 22(5-6) , 665-80, (1981)
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Flow Cytometric HTS Screen for inhibitors of the ABC transporter ABCB6 for Validation...
来源:NMMLSC
靶标:ATP-binding cassette sub-family B member 6, mitochondrial [Homo sapiens]
External Id:UNMCMD_ABCB6_1o_ValidationSet
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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| piperidine-3-carboxamide |
| nipecotinamide |
| 3-Piperidinecarboxamide |
| 3-Piperidinecarboxamide,(S) |
| piperidine-3-carboxylic acid amide |
| 3-Carbamoylpiperidine 3-Piperidinecarboxamide |
| Nipecotamide |
| nipecotic acid amide |
| dihydronicotinamide |
| 3-carboxamidepiperidine |
| EINECS 223-962-5 |
| HEXAHYDRONICOTINAMIDE |
| MFCD00005993 |