Azepindole
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Basic information
- CAS
26304-61-0- Standard SMILES
c1ccc2c(c1)cc1n2CCCNC1- InChIKey
FEJCIXJKPISCJV-UHFFFAOYSA-N- Molecular formula
- C12H14N2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.11569846
Overview
Azepindole is a small molecule drug. Azepindole has a monoisotopic molecular weight of 186.12 Da.
Names & identifiers
- Preferred name
- Azepindole
- IUPAC
- 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole
- English name
- Azepindole
- Molecular formula
- C12H14N2
- Molecular weight
- 186.25
Names & synonyms
AZEPINDOLE26304-61-0Azepindol2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole1H,2H,3H,4H,5H-[1,4]diazepino[1,2-a]indoleMCN-24536BB6FW9T8J1H-(1,4)Diazepino(1,2-a)indole, 2,3,4,5-tetrahydro-Azepindole [USAN:INN]UNII-6BB6FW9T8J2,3,4,5-Tetrahydro-1H-(1,4)diazepino(1,2-a)indoleMcN 2453
Show more names
1H-[1,4]Diazepino[1,2-a]indole, 2,3,4,5-tetrahydro-
AZEPINDOLE [INN]Azepindole (USAN/INN)AZEPINDOLE [USAN]CHEMBL10758SCHEMBL1206762,3,4,5-Tetrahydro-1H-(1,4)diazepino(1,2-a)indolDTXSID40180916FEJCIXJKPISCJV-UHFFFAOYSA-N
Database identifiers
- CAS
26304-61-0- PubChem CID
- 33471
- DTXSID
DTXSID40180916- ChEMBL
CHEMBL10758- UNII
- 6BB6FW9T8J
- Nikkaji
- J19.709B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 367.1 · 367.1±17.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 10.85 · 10.85±0.20(Predicted)
- FDA UNII
- 6 BB6FW9T8J · 6BB6FW9T8J
Chemistry & industry
Applications
UsesAntidepressant.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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