Basic information
- CAS
19007-31-9- Standard SMILES
CN1CCN2CCc3ccccc3C2c2ccccc21- InChIKey
KBFMNITYIDHUPK-UHFFFAOYSA-N- Molecular formula
- C18H20N2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.16264865
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepine, 5,6,7,9,10,14b-hexahydro-5-methyl-
- IUPAC
- 5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepine
- English name
- 5,6,7,9,10,14b-Hexahydro-5-methylisoquino[2,1-d][1,4]benzodiazepine
- Molecular weight
- 0
Names & synonyms
BRN 066790219007-31-95-Methyl-6,7,9,10-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepineISOQUINO(2,1-d)(1,4)BENZODIAZEPINE, 5,6,7,9,10,14b-HEXAHYDRO-5-METHYL-RefChem:3498665,6,7,9,10,14b-Hexahydro-5-methylisoquino[2,1-d][1,4]benzodiazepine5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepineDTXSID109405445-Methyl-5,6,7,9,10,14b-hexahydroisoquinolino[2,1-d][1,4]benzodiazepine
Database identifiers
- CAS
19007-31-9- PubChem CID
- 29378
- DTXSID
DTXSID10940544- Nikkaji
- J41.112D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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