Basic information
- CAS
22120-39-4- Standard SMILES
Cc1ccc2[nH]cc(CCN(C)C)c2c1- InChIKey
NCGJLYBZSJSCIC-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- 5-Methyl-N,N-dimethyltryptamine
- IUPAC
- N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine
- English name
- 5-METHYL-N,N-DIMETHYLTRYPTAMINE
- Molecular formula
- C13H18N2
- Molecular weight
- 202.3
Names & synonyms
22120-39-4N,N-Dimethyl-5-methyltryptamineINDOLE, 3-(2-(DIMETHYLAMINO)ETHYL)-5-METHYL-5-METHYL-N,N-DIMETHYLTRYPTAMINEHIX0SK1CCXNSC 88623NSC-88623N,N,5-TRIMETHYL-1H-INDOLE-3-ETHANAMINEBRN 0474715UNII-HIX0SK1CCXDTXSID301766415-22-10-00167 (Beilstein Handbook Reference)
Show more names
N,N-DIMETHYL-METHYLTRYPTAMINEN,N-DIMETHYL-METHYLTRYPTAMINE free base1H-Indole-3-ethanamine,N,N,5-trimethyl-3-(2-dimethylaminoethyl)-5-methylindole3-(2-(dimethylamino)ethyl)-5-methyl-indol3-[2-(Dimethylamino)ethyl]-5-methyl-1H-indole
Indole, 3-[2-(dimethylamino)ethyl]-5-methyl-RefChem:103169DTXCID2099132636-646-0NCGJLYBZSJSCIC-UHFFFAOYSA-NN,N-5-Trimethyl-1H-indole-3-ethanamine1H-Indole-3-ethanamine, N,N,5-trimethyl-N,N-Dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine
Database identifiers
- CAS
22120-39-4- PubChem CID
- 1837
- DTXSID
DTXSID30176641- UNII
- HIX0SK1CCX
- EC Number
- 636-646-0
- Nikkaji
- J41.046B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 94 · 94-96°C
- Boiling point
- 330.43 °C · 330.43°C (rough estimate)
- Density
- 0.94 · 0.9400 (rough estimate)
- refractive index
- 1.44 · 1.4400 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 17.41 · 17.41±0.30(Predicted)
- color
- Off-White to Light Beige
- FDA UNII
- 0 SK1CCX · HIX0SK1CCX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20
- Safety Statements
- 22 · 22-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P304+P340, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- NL7420000
- risk_code
- 20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H332
- Precautionary statements
- P261-P271-P304+P340-P312
Chemistry & industry
Applications
UsesN,N-5-Trimethyl-1H-indole-3-ethanamine is used in the synthesis of 3-fluorooxindole derivatives that have potential pharmaceutical application, such as in the production of antimigrane drugs.
Uses5-METHYL-N,N-DIMETHYLTRYPTAMINE is used in the synthesis of 3-fluorooxindole derivatives that have potential pharmaceutical application, such as in the production of antimigrane drugs.
Suppliers8 total
杭州杰恒化工有限公司0571-87396432 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…