1-(3-(2-Aminoethyl)-1H-indol-5-yl)ethanone
Basic information
- CAS
3551-18-6- Standard SMILES
CC(=O)c1ccc2[nH]cc(CCN)c2c1- InChIKey
RAUGYAOLAMRLLZ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Overview
Acetryptine is a small molecule drug. Acetryptine has a monoisotopic molecular weight of 202.11 Da.
Names & identifiers
- Preferred name
- 1-(3-(2-Aminoethyl)-1H-indol-5-yl)ethanone
- IUPAC
- 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone
- English name
- Acetryptine
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
Acetryptine3551-18-6AcetriptinaAcetryptinumAcetryptin1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanoneW 2965 A3-(2-Aminoethyl)indol-5-yl methyl ketoneN9VWZ34G5EW-2965-ADTXSID901890151-(3-(2-aminoethyl)-1H-indol-5-yl)ethanone
Show more names
W-2965 A5-Acetyl-1H-indole-3-ethaneamine1-[3-(2-azanylethyl)-1H-indol-5-yl]ethanoneEthanone, 1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-(2-Aminoethyl)-1H-indol-5-yl(methyl) ketone
RefChem:1054118DTXCID20111506Acetryptine [INN]CHEMBL110317W2965 AAcetryptinum [INN-Latin]UNII-N9VWZ34G5EAcetriptina [INN-Spanish]
Database identifiers
- CAS
3551-18-6- PubChem CID
- 20810
- DTXSID
DTXSID90189015- ChEMBL
CHEMBL110317- UNII
- N9VWZ34G5E
- Nikkaji
- J238.544I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 140 · 140-142 °C
- Boiling point
- 411.3 · 411.3±30.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 16.27 · 16.27±0.30(Predicted)
- FDA UNII
- 9 VWZ34G5E · N9VWZ34G5E
Related reactions
4 records
Compound notes
Loading…