Basic information
- CAS
69782-27-0- Standard SMILES
C[NH+](C)CCCC1(O)c2ccccc2C=Cc2ccc(Cl)cc21.O=P([O-])(O)O- InChIKey
SMTKHZQWESINGI-UHFFFAOYSA-N- Molecular formula
- C20H25ClNO5P
- Average molar mass
- 425.8 g/mol
- Monoisotopic mass
- 425.1158876
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cyclohepten-5-ol, 3-chloro-5-(3-dimethylaminopropyl)-, hydrogen phosphate
- IUPAC
- 3-(5-chloro-2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)propyl-dimethylazanium;dihydrogen phosphate
Names & synonyms
3-Chloro-5-(3-dimethylaminopropyl)-5H-dibenzo(a,d)cyclohepten-5-ol hydrogen phosphate5H-Dibenzo(a,d)cyclohepten-5-ol, 3-chloro-5-(3-dimethylaminopropyl)-, hydrogen phosphate69782-27-0RefChem:305530
Database identifiers
- CAS
69782-27-0- PubChem CID
- 50874
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…