Basic information
- CAS
1043-24-9- Standard SMILES
CC(CN(C)C)CN1c2ccccc2CCc2ccc(Cl)cc21- InChIKey
IIVKNTQHUDZKON-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2
- Average molar mass
- 328.9 g/mol
- Monoisotopic mass
- 328.1706265
Names & identifiers
- Preferred name
- 3-Chloro-beta-methylimipramine
- IUPAC
- 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine
Names & synonyms
3-Chloro-beta-methylimipramine29W4IW64HGUNII-29W4IW64HG1043-24-93-Chloro-10,11-dihydro-N,N,beta-trimethyl-5H-dibenz(b,f)azepine-5-propanamine5H-Dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N,beta-trimethyl-3-CHLORO-.BETA.-METHYLIMIPRAMINE3-CHLORO-10,11-DIHYDRO-N,N,.BETA.-TRIMETHYL-5H-DIBENZ(B,F)AZEPINE-5-PROPANAMINE5H-DIBENZ(B,F)AZEPINE-5-PROPANAMINE, 3-CHLORO-10,11-DIHYDRO-N,N,.BETA.-TRIMETHYL-
Database identifiers
- CAS
1043-24-9- PubChem CID
- 31053
- UNII
- 29W4IW64HG
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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