(S)-2-Amino-5-[(Aminocarbonyl)Amino]-N-(4-Nitrophenyl)Valeramide Monohydrobromide
[CAS# 83575-39-7]

Identification

• Name: (S)-2-Amino-5-[(Aminocarbonyl)Amino]-N-(4-Nitrophenyl)Valeramide Monohydrobromide
• Synonyms: 2-Amino-N-(4-Nitrophenyl)-5-Ureido-Pentanamide Hydrobromide; 2-Amino-N-(4-Nitrophenyl)-5-Ureidopentanamide Hydrobromide; 2-Amino-N-(4-Nitrophenyl)-5-Ureido-Valeramide Hydrobromide
• Molecular Formula: C₁₂H₁₈BrN₅O₄
• Molecular Weight: 376.21
• CAS Registry Number: 83575-39-7
• EINECS: 280-493-9
• SMILES: [H+].C1=C(NC(=O)C(N)CCCNC(=O)N)C=CC(=C1)[N+]([O-])=O.[Br-]
• InChI: 1S/C12H17N5O4.BrH/c13-10(2-1-7-15-12(14)19)11(18)16-8-3-5-9(6-4-8)17(20)21;/h3-6,10H,1-2,7,13H2,(H,16,18)(H3,14,15,19);1H
• InChIKey: BUFNVCIQUCWRBR-UHFFFAOYSA-N

Properties

• Boiling point: 591.1°C at 760 mmHg (Cal.)
• Flash point: 311.3°C (Cal.)