Indole-3-methanol, alpha-(2-(dimethylamino)ethyl)-
Basic information
- CAS
101264-47-5- Standard SMILES
CN(C)CCC(O)c1c[nH]c2ccccc12- InChIKey
HFOWQNTXLGHABX-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Names & identifiers
- Preferred name
- Indole-3-methanol, alpha-(2-(dimethylamino)ethyl)-
- IUPAC
- 3-(dimethylamino)-1-(1H-indol-3-yl)propan-1-ol
- English name
- 1H-Indole-3-methanol, α-[2-(dimethylamino)ethyl]-
- Molecular formula
- C13H18N2O
- Molecular weight
- 218.29
Names & synonyms
INDOLE-3-METHANOL, alpha-(2-(DIMETHYLAMINO)ETHYL)-101264-47-5RefChem:1087363alpha-(2-(Dimethylamino)ethyl)indole-3-methanolBRN 0175807NSC199724-22-00-05692 (Beilstein Handbook Reference)NSC-199723-(dimethylamino)-1-(1H-indol-3-yl)-1-propanol1H-Indole-3-methanol, α-[2-(dimethylamino)ethyl]-
Database identifiers
- CAS
101264-47-5- PubChem CID
- 58240
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 149 · 149-151 °C(Solv: benzene (71-43-2); methanol (67-56-1))
- Boiling point
- 404.8 · 404.8±35.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.20(Predicted)
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Compound notes
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