Basic information
- CAS
2204-53-7- Standard SMILES
CN(C)CCCN1c2ccccc2CNc2ccccc21- InChIKey
ZUMKGEDSJKWRFD-UHFFFAOYSA-N- Molecular formula
- C18H23N3
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.18919775
Names & identifiers
- Preferred name
- 5H-DIBENZO(b,e)(1,4)DIAZEPINE, 10,11-DIHYDRO-5-(3-(DIMETHYLAMINO)PROPYL)-
- IUPAC
- 3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-11-yl)-N,N-dimethylpropan-1-amine
- English name
- 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine
- Molecular weight
- 0
Names & synonyms
5H-DIBENZO(b,e)(1,4)DIAZEPINE, 10,11-DIHYDRO-5-(3-(DIMETHYLAMINO)PROPYL)-2204-53-7BRN 0891351DTXSID401765115-(3-(Dimethylamino)propyl)-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepine3-(10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)-N,N-dimethylpropan-1-amine5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine
Database identifiers
- CAS
2204-53-7- PubChem CID
- 16624
- DTXSID
DTXSID40176511- Nikkaji
- J42.192H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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