5-Chloro-1-(3-Dimethylaminopropyl)-3-Phenylbenzimidazol-2-One Hydrate Hydrochloride
[CAS# 31959-88-3]

Identification

• Name: 5-Chloro-1-(3-Dimethylaminopropyl)-3-Phenylbenzimidazol-2-One Hydrate Hydrochloride
• Synonyms: 5-Chloro-1-(3-Dimethylaminopropyl)-3-Phenyl-Benzimidazol-2-One Hydrate Hydrochloride; 5-Chloro-1-(3-Dimethylaminopropyl)-3-Phenyl-2-Benzimidazolone Hydrate Hydrochloride; Clodazon Hydrochloride
• Molecular Formula: C₁₈H₂₃Cl₂N₃O₂
• Molecular Weight: 384.30
• CAS Registry Number: 31959-88-3
• SMILES: [H+].C1=CC(=CC2=C1N(CCCN(C)C)C(=O)N2C3=CC=CC=C3)Cl.[Cl-].O
• InChI: 1S/C18H20ClN3O.ClH.H2O/c1-20(2)11-6-12-21-16-10-9-14(19)13-17(16)22(18(21)23)15-7-4-3-5-8-15;;/h3-5,7-10,13H,6,11-12H2,1-2H3;1H;1H2
• InChIKey: KUSWMSGQGZMJGX-UHFFFAOYSA-N

Properties

• Boiling point: 466.3°C at 760 mmHg (Cal.)
• Flash point: 235.8°C (Cal.)