Dimethyl-[4-[(3-Nitrobenzoyl)Amino]-4-Phenyl-Butyl]Azanium Chloride
[CAS# 80704-44-5]

Identification

• Name: Dimethyl-[4-[(3-Nitrobenzoyl)Amino]-4-Phenyl-Butyl]Azanium Chloride
• Synonyms: Dimethyl-[4-[(3-Nitrobenzoyl)Amino]-4-Phenyl-Butyl]Ammonium Chloride; Dimethyl-[4-[[(3-Nitrophenyl)-Oxomethyl]Amino]-4-Phenylbutyl]Ammonium Chloride; Dimethyl-[4-[(3-Nitrophenyl)Carbonylamino]-4-Phenyl-Butyl]Azanium Chloride
• Molecular Formula: C₁₉H₂₄ClN₃O₃
• Molecular Weight: 377.87
• CAS Registry Number: 80704-44-5
• SMILES: C2=C(C(=O)NC(C1=CC=CC=C1)CCC[NH+](C)C)C=CC=C2[N+]([O-])=O.[Cl-]
• InChI: 1S/C19H23N3O3.ClH/c1-21(2)13-7-12-18(15-8-4-3-5-9-15)20-19(23)16-10-6-11-17(14-16)22(24)25;/h3-6,8-11,14,18H,7,12-13H2,1-2H3,(H,20,23);1H
• InChIKey: YNUNFOBWGVCIFR-UHFFFAOYSA-N

Properties

• Boiling point: 537.9°C at 760 mmHg (Cal.)
• Flash point: 279.1°C (Cal.)