2'-Carbomethoxyphenyl 4-Guanidinobenzoate
[CAS# 89022-11-7]

Identification

• Name: 2'-Carbomethoxyphenyl 4-Guanidinobenzoate
• Synonyms: 2'-Carbomethoxyphenyl 4-guanidinobenzoate; 4-((Aminoiminomethyl)amino)benzoic acid 2-(methoxycarbonyl)phenyl ester; Benzoic acid, 4-((aminoiminomethyl)amino)-, 2-(methoxycarbonyl)phenyl ester
• Molecular Formula: C₁₆H₁₅N₃O₄
• Molecular Weight: 313.31
• CAS Registry Number: 89022-11-7
• SMILES: COC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC(=N)N
• InChI: 1S/C16H15N3O4/c1-22-15(21)12-4-2-3-5-13(12)23-14(20)10-6-8-11(9-7-10)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
• InChIKey: QFHVTOHRBHBYIA-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 485.7±51.0°C at 760 mmHg (Cal.)
• Flash point: 247.6±30.4°C (Cal.)