4'-Acetamidophenyl 4-Guanidinobenzoate Hydrochloride
[CAS# 79119-49-6]

Identification

• Name: 4'-Acetamidophenyl 4-Guanidinobenzoate Hydrochloride
• Synonyms: [N'-[4-(4-Acetamidophenoxy)Carbonylphenyl]Carbamimidoyl]Ammonium Chloride; [[4-[(4-Acetamidophenoxy)-Oxomethyl]Phenyl]Imino-Aminomethyl]Ammonium Chloride; 4-((Aminoiminomethyl)Amino)Benzoic Acid 4-(Acetylamino)Phenyl Ester Hydrochloride
• Molecular Formula: C₁₆H₁₇ClN₄O₃
• Molecular Weight: 348.79
• CAS Registry Number: 79119-49-6
• SMILES: C1=C(NC(=O)C)C=CC(=C1)OC(=O)C2=CC=C(N=C([NH3+])N)C=C2.[Cl-]
• InChI: 1S/C16H16N4O3.ClH/c1-10(21)19-12-6-8-14(9-7-12)23-15(22)11-2-4-13(5-3-11)20-16(17)18;/h2-9H,1H3,(H,19,21)(H4,17,18,20);1H
• InChIKey: CBYYAOPEHXAUHL-UHFFFAOYSA-N

Properties

• Boiling point: 581.4°C at 760 mmHg (Cal.)
• Flash point: 305.4°C (Cal.)