12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-9-chloro-12-(3-dimethylaminopropyl)-
Basic information
- CAS
37683-61-7- Standard SMILES
CN(C)CCCn1c2c(c3cc(Cl)ccc31)CCOc1ccccc1-2- InChIKey
KWHOQRKFVBSHRI-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O
- Average molar mass
- 354.9 g/mol
- Monoisotopic mass
- 354.1498911
Names & identifiers
- Preferred name
- 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-9-chloro-12-(3-dimethylaminopropyl)-
- IUPAC
- 3-(9-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine
- English name
- 9-Chloro-6,7-dihydro-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-propan-1-amine
- Molecular formula
- C21H23ClN2O
- Molecular weight
- 354.87
Names & synonyms
37683-61-712H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-9-chloro-12-(3-dimethylaminopropyl)-DTXSID801911226,7-Dihydro-9-chloro-12-(3-dimethylaminopropyl)-12H-(1)benzoxepino(5,4-b)indole9-Chloro-12-(3-dimethylaminopropyl)-12H-6,7-dihydrobenz(2',3')oxepino(4,5-b)indoleRefChem:236454DTXCID901136133-(9-Chloro-6,7-dihydro-12H-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine12H-[1]Benzoxepino[5,4-b]indole-12-propanamine, 9-chloro-6,7-dihydro-N,N-dimethyl-9-Chloro-6,7-dihydro-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-propan-1-amine
Database identifiers
- CAS
37683-61-7- PubChem CID
- 37815
- DTXSID
DTXSID80191122- Nikkaji
- J67.942I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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