11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-9,10-dimethoxy-, dihydrochloride
Basic information
- CAS
39630-41-6- Standard SMILES
COc1cc2c(cc1OC)[C@H]1C[C@@H](N)CCN1CC2.Cl.Cl- InChIKey
NMPGADCRCXKNQF-VZCPBZATSA-N- Molecular formula
- C15H24Cl2N2O2
- Average molar mass
- 335.3 g/mol
- Monoisotopic mass
- 334.1214834
Names & identifiers
- Preferred name
- 11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-9,10-dimethoxy-, dihydrochloride
- IUPAC
- (2S,11bR)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine;dihydrochloride
Names & synonyms
39630-41-611bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-9,10-dimethoxy-, dihydrochlorideAmino-2-beta dimethoxy-9,10 hexahydro-1,2,3,4,6,7 11b H benzo(a)quinolizine dichlorhydrateDTXSID80192735RefChem:236224DTXCID20115226(2S,11bR)-9,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
39630-41-6- PubChem CID
- 217813
- DTXSID
DTXSID80192735
Properties
Computed structural properties
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
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Compound notes
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