Basic information
- CAS
62500-89-4- Standard SMILES
Cc1cccc2[nH]cc(CCN)c12- InChIKey
QCUCAQZMPVIYAJ-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569845
Names & identifiers
- Preferred name
- 2-(4-methyl-1H-indol-3-yl)ethan-1-amine
- IUPAC
- 2-(4-methyl-1H-indol-3-yl)ethanamine
- English name
- 2-(4-Methyl-1H-indol-3-yl)ethan-1-amine
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
2-(4-methyl-1H-indol-3-yl)ethan-1-amine4-methyltryptamineDTXSID40978097RefChem:458021DTXCID601405425835-768-362500-89-41h-indole-3-ethanamine, 4-methyl-2-(4-methyl-1H-indol-3-yl)ethanamineCHEMBL204942SCHEMBL4838821QCUCAQZMPVIYAJ-UHFFFAOYSA-N
Show more names
2-(4-Methyl-3-indolyl)ethanamineMCA50089MFCD03095160AKOS009437197NCGC00333596-01SY187804CS-0258087EN300-69063
Database identifiers
- CAS
62500-89-4- PubChem CID
- 188007
- DTXSID
DTXSID40978097- ChEMBL
CHEMBL204942- EC Number
- 835-768-3
- Nikkaji
- J435.129K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 116 · 116-117 °C(Solv: benzene (71-43-2); cyclohexane (110-82-7))
- Boiling point
- 354.3 · 354.3±27.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 17.57 · 17.57±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses2-(4-Methyl-1H-indol-3-yl)ethan-1-amine can be useful in the preparation of fascaplysin derivatives as potent multi-target agents against Alzheimer's disease.
Suppliers2 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
Related reactions
2 records
Compound notes
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