1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-
Basic information
- CAS
3889-03-0- Standard SMILES
CC1NCCc2c(CO)[nH]c3c(Cl)ccc1c23- InChIKey
DCOVDJHRNPZGEB-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O
- Average molar mass
- 250.72 g/mol
- Monoisotopic mass
- 250.0872908
Names & identifiers
- Preferred name
- 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-
- IUPAC
- (5-chloro-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)methanol
- English name
- 3,4,5,6-Tetrahydro-9-chloro-6-methyl-1H-azepino[5,4,3-cd]indole-2-methanol
- Molecular formula
- C13H15ClN2O
- Molecular weight
- 250.72
Names & synonyms
BRN 41407973889-03-01H-AZEPINO(5,4,3-cd)INDOLE-2-METHANOL, 3,4,5,6-TETRAHYDRO-9-CHLORO-6-METHYL-9-Chloro-6-methyl-3,4,56-tetrahydro-1H-azepino(5,4,3-cd)indole-2-methanolRefChem:237407DTXSID00959660(9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)methanol3,4,5,6-Tetrahydro-9-chloro-6-methyl-1H-azepino[5,4,3-cd]indole-2-methanol1H-Pyrrolo[4,3,2-ef][2]benzazepine-2-methanol, 9-chloro-3,4,5,6-tetrahydro-6-methyl-
Database identifiers
- CAS
3889-03-0- PubChem CID
- 19770
- DTXSID
DTXSID00959660- Nikkaji
- J84.650C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 215 · 215-218 °C
- Boiling point
- 472.2 · 472.2±45.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 14.71 · 14.71±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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