Basic information
- CAS
53-68-9- Standard SMILES
CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1O- InChIKey
RAWGDJHFEWGEEX-UHFFFAOYSA-N- Molecular formula
- C20H30N2O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.22055744
Names & identifiers
- Preferred name
- P 2565
- IUPAC
- N,N-diethyl-2-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxamide
- English name
- 2H-Benzo[a]quinolizine-3-carboxamide, N,N-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-
- Molecular formula
- C20H30N2O4
- Molecular weight
- 362.46
Names & synonyms
P 256553-68-9DTXSID50289161RefChem:367510DTXCID40240307n,n-diethyl-2-hydroxy-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinoline-3-carboxamide2H-Benzo[a]quinolizine-3-carboxamide,N-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-NSC59473NSC-59473NSC169191NSC-1691912H-Benzo[a]quinolizine-3-carboxamide, N,N-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-
Database identifiers
- CAS
53-68-9- PubChem CID
- 246451
- DTXSID
DTXSID50289161
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Boiling point
- 543.4 · 543.4±50.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- Melting point
- 138 · 138-140 °C
- pka
- 14.23 · 14.23±0.40(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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