5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-2-((4-methyl-1-piperazinyl)methyl)-
Basic information
- CAS
64097-65-0- Standard SMILES
CN(C)CCCN1c2ccccc2CCc2cc(CN3CCN(C)CC3)ccc21- InChIKey
MZLFXFVKDCQVDT-UHFFFAOYSA-N- Molecular formula
- C25H36N4
- Average molar mass
- 392.6 g/mol
- Monoisotopic mass
- 392.29399717
Names & identifiers
- Preferred name
- 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-2-((4-methyl-1-piperazinyl)methyl)-
- IUPAC
- N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
- English name
- 10,11-Dihydro-N,N-dimethyl-2-[(4-methyl-1-piperazinyl)methyl]-5H-dibenz[b,f]azepine-5-propan-1-amine
- Molecular formula
- C25H36N4
- Molecular weight
- 392.58
Names & synonyms
5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-2-((4-methyl-1-piperazinyl)methyl)-64097-65-0BRN 0582623DTXSID50214291N,N-Dimethyl-3-{2-[(4-methylpiperazin-1-yl)methyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl}propan-1-amine5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-2-[(4-methyl-1-piperazinyl)methyl]-10,11-Dihydro-N,N-dimethyl-2-[(4-methyl-1-piperazinyl)methyl]-5H-dibenz[b,f]azepine-5-propan-1-amine
Database identifiers
- CAS
64097-65-0- PubChem CID
- 3048902
- DTXSID
DTXSID50214291- Nikkaji
- J74.745I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Boiling point
- 522.2 · 522.2±50.0 °C(Predicted)
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- pka
- 9.5 · 9.50±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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