Nω-methyltryptamine structure
|
Common Name | Nω-methyltryptamine | ||
|---|---|---|---|---|
| CAS Number | 61-49-4 | Molecular Weight | 174.242 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 336.2±17.0 °C at 760 mmHg | |
| Molecular Formula | C11H14N2 | Melting Point | 87-89 °C(lit.) | |
| MSDS | N/A | Flash Point | 157.1±20.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N-methyltryptamine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 336.2±17.0 °C at 760 mmHg |
| Melting Point | 87-89 °C(lit.) |
| Molecular Formula | C11H14N2 |
| Molecular Weight | 174.242 |
| Flash Point | 157.1±20.9 °C |
| Exact Mass | 174.115692 |
| PSA | 27.82000 |
| LogP | 1.52 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.621 |
| InChIKey | NCIKQJBVUNUXLW-UHFFFAOYSA-N |
| SMILES | CNCCc1c[nH]c2ccccc12 |
| Storage condition | -20°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:3-(2-Methylaminoethyl)indole; 1H-Indole-3-ethanamine, N-methyl-; 3-(2-(Methylamino)ethyl)indole; Indole, 3-(2-(methylamino)ethyl)-; Methyltryptamine; N-Methyltryptamine; N-Monomethyltryptamin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 61-49-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 87.00 - 89.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: Not available. Molecular Formula: C11H14N2 Molecular Weight: 174.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 61-49-4: NM0450000 LD50/LC50: Not available. Carcinogenicity: N-omega-Methyltryptamine - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 61-49-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 61-49-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 61-49-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | S24/25 |
|---|---|
| WGK Germany | 3 |
| RTECS | NM0450000 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 7 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: 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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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
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Name: qHTS for Inhibitors of Polymerase Iota
Source: NCGC
Target: DNA polymerase iota [Homo sapiens]
External Id: PolI100
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N(ω)-methyltryptamine |
| Nw-Methyltryptamine |
| N-Methyltryptamine |
| 2-(1H-indol-3-yl)-N-methylethan-1-amine |
| N-ω-Methyltryptamine |
| N-ω-Methyltryptamine(NMT) |
| 1-methyl-1H-indole-3-ethylamine |
| (2-indol-3-ylethyl)methylamine |
| 2-(1H-Indol-3-yl)-N-methylethanamine |
| MFCD00005657 |
| 3-(2-Methylaminoethyl)indole |
| EINECS 200-507-9 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of N-methyltryptamine? |
| A: Related downstream products(CAS) of N-methyltryptamine: 61-50-7;2009-03-2;13100-00-0;474657-72-2;59156-98-8;63637-70-7;54268-27-8. |
| Q: What are the upstream materials of N-methyltryptamine? |
| A: Related upstream materials(CAS) of N-methyltryptamine: 67909-99-3;61-54-1;541-41-3;58635-45-3;6502-82-5;526-31-8;343-94-2;771-51-7;526-55-6. |
| Q: What is the polar surface area (PSA) of N-methyltryptamine? |
| A: Polar surface area (PSA) of N-methyltryptamine is 27.82000. |
| Q: What is the melting point of N-methyltryptamine? |
| A: Melting point of N-methyltryptamine is 87-89 °C(lit.). |
| Q: What is the English name of N-methyltryptamine? |
| A: The English name of N-methyltryptamine is N-methyltryptamine. |
| Q: What is the CAS number of N-methyltryptamine? |
| A: CAS number of N-methyltryptamine is 61-49-4. |
| Q: What are the storage conditions for N-methyltryptamine? |
| A: Storage conditions for N-methyltryptamine: -20°C. |
| Q: What is the InChIKey of N-methyltryptamine? |
| A: InChIKey of N-methyltryptamine is NCIKQJBVUNUXLW-UHFFFAOYSA-N. |
| Q: What is the molecular formula of N-methyltryptamine? |
| A: Molecular formula of N-methyltryptamine is C11H14N2. |
| Q: What is the boiling point of N-methyltryptamine? |
| A: Boiling point of N-methyltryptamine is 336.2±17.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |