Basic information
- CAS
7564-07-0- Standard SMILES
NC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1- InChIKey
UMBZDAJGYNJMGS-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3
- Average molar mass
- 269.73 g/mol
- Monoisotopic mass
- 269.07197506
Overview
degradation product or chlordiazepoxide; structure given in first source
Names & identifiers
- Preferred name
- N-Desmethyl-N(4)-desoxychlordiazepoxide
- IUPAC
- 7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-amine
- English name
- N-desmethyl-N(4)-desoxychlordiazepoxide
- Molecular formula
- C15H12ClN3
- Molecular weight
- 269.73
Names & synonyms
Desmethyldesoxychlordiazepoxide7564-07-0N-Desmethyl-N(4)-desoxychlordiazepoxideDTXSID90226550RefChem:927126DTXCID201490417-chloro-5-phenyl-3H-1,4-benzodiazepin-2-amine3H-1,4-Benzodiazepin-2-amine, 7-chloro-5-phenyl-Diazepoxide M (nor-desoxo)SCHEMBL73701832-amino-7-chloro-5-phenyl-3H-1,4-benzodiazepine
Database identifiers
- CAS
7564-07-0- PubChem CID
- 165626
- DTXSID
DTXSID90226550
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 236 · 236-237 °C
- Boiling point
- 451.2 · 451.2±55.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.20(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
6 records
Compound notes
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