Basic information
- CAS
19955-83-0- Standard SMILES
CC(N)c1c[nH]c2ccccc12- InChIKey
VBNMNLNTLNOVIT-UHFFFAOYSA-N- Molecular formula
- C10H12N2
- Average molar mass
- 160.22 g/mol
- Monoisotopic mass
- 160.10004838
Names & identifiers
- Preferred name
- 1-(1H-indol-3-yl)ethanamine
- IUPAC
- 1-(1H-indol-3-yl)ethanamine
- English name
- 1-(1H-Indol-3-yl)-ethylamine
- Molecular formula
- C10H12N2
- Molecular weight
- 160.22
Names & synonyms
1-(1H-indol-3-yl)ethanamine19955-83-0DTXSID90388485RefChem:222657DTXCID90339497[1-(1H-indol-3-yl)ethyl]amine1-(1H-indol-3-yl)ethan-1-amine1-(1H-INDOL-3-YL)-ETHYLAMINEMFCD099658553-(1-aminoethyl)indole1-(1H-indol-3-yl)ethylamineSCHEMBL1239890
Show more names
1H-Indole-3-methanamine, α-methyl-1-(1H-indol-3-yl)ethanamine(SALTDATA: FREE)
SCHEMBL6888701SCHEMBL20970972SCHEMBL29356418VBNMNLNTLNOVIT-UHFFFAOYSA-NALBB-012797AKOS005173877SB35140CS-0449228
Database identifiers
- CAS
19955-83-0- PubChem CID
- 3015701
- DTXSID
DTXSID90388485
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 327.2 · 327.2±17.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 17.54 · 17.54±0.30(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
上海智乾生物科技有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
9 records
Compound notes
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