1-Amidino-3-(3-Carboxypropyl)Urea
[CAS# 5998-99-2]

Identification

• Name: 1-Amidino-3-(3-Carboxypropyl)Urea
• Synonyms: 3-[(4Z)-4-[(3-Bromophenyl)Methylene]-3-Methyl-5-Oxo-Pyrazol-1-Yl]Benzoic Acid; 3-[(4Z)-4-[(3-Bromophenyl)Methylene]-3-Methyl-5-Oxo-1-Pyrazolyl]Benzoic Acid; 3-[(4Z)-4-(3-Bromobenzylidene)-5-Keto-3-Methyl-Pyrazol-1-Yl]Benzoic Acid
• Molecular Formula: C₁₈H₁₃BrN₂O₃
• Molecular Weight: 385.22
• CAS Registry Number: 5998-99-2
• SMILES: C1=C(C(=O)O)C=CC=C1N2C(\C(C(=N2)C)=C/C3=CC(=CC=C3)Br)=O
• InChI: 1S/C18H13BrN2O3/c1-11-16(9-12-4-2-6-14(19)8-12)17(22)21(20-11)15-7-3-5-13(10-15)18(23)24/h2-10H,1H3,(H,23,24)/b16-9-
• InChIKey: XTVGPQCYOHVBHL-SXGWCWSVSA-N

Properties

• Density: 1.506g/cm³ (Cal.)
• Boiling point: 564.378°C at 760 mmHg (Cal.)
• Flash point: 295.126°C (Cal.)