4'-Carbomethoxyphenyl 4-Guanidinobenzoate
[CAS# 99450-77-8]

Identification

• Name: 4'-Carbomethoxyphenyl 4-Guanidinobenzoate
• Synonyms: [N'-[4-(4-Methoxycarbonylphenoxy)Carbonylphenyl]Carbamimidoyl]Ammonium Chloride; [Amino-[4-[(4-Methoxycarbonylphenoxy)-Oxomethyl]Phenyl]Iminomethyl]Ammonium Chloride; [N'-[4-(4-Carbomethoxyphenoxy)Carbonylphenyl]Carbamimidoyl]Ammonium Chloride
• Molecular Formula: C₁₆H₁₆ClN₃O₄
• Molecular Weight: 349.77
• CAS Registry Number: 99450-77-8
• SMILES: C1=C(C=CC(=C1)N=C([NH3+])N)C(OC2=CC=C(C=C2)C(OC)=O)=O.[Cl-]
• InChI: 1S/C16H15N3O4.ClH/c1-22-14(20)10-4-8-13(9-5-10)23-15(21)11-2-6-12(7-3-11)19-16(17)18;/h2-9H,1H3,(H4,17,18,19);1H
• InChIKey: PTZZTYPWVAPNFP-UHFFFAOYSA-N

Properties

• Boiling point: 540.4°C at 760 mmHg (Cal.)
• Flash point: 280.6°C (Cal.)