4-(beta-Amidinoethenyl)phenyl-4-guanidinobenzoate
[CAS# 80251-33-8]

Identification

• Name: 4-(beta-Amidinoethenyl)phenyl-4-guanidinobenzoate
• Synonyms: [4-[(E)-3-Amino-3-Imino-Prop-1-Enyl]Phenyl] 4-Guanidinobenzoate; Methanesulfonic Acid; 4-Guanidinobenzoic Acid [4-[(E)-3-Amino-3-Iminoprop-1-Enyl]Phenyl] Ester; Methanesulfonic Acid; 4-Guanidinobenzoic Acid [4-[(E)-3-Amino-3-Imino-Prop-1-Enyl]Phenyl] Ester; Methanesulfonic Acid
• Molecular Formula: C₁₉H₂₅N₅O₈S₂
• Molecular Weight: 515.56
• CAS Registry Number: 80251-33-8
• SMILES: C[S](O)(=O)=O.C[S](O)(=O)=O.C2=C(OC(=O)C1=CC=C(N=C(N)N)C=C1)C=CC(=C2)\C=C\C(N)=N
• InChI: 1S/C17H17N5O2.2CH4O3S/c18-15(19)10-3-11-1-8-14(9-2-11)24-16(23)12-4-6-13(7-5-12)22-17(20)21;2*1-5(2,3)4/h1-10H,(H3,18,19)(H4,20,21,22);2*1H3,(H,2,3,4)/b10-3+
• InChIKey: QTBJWZSUWMMLLD-PRAOPCELSA-N

Properties

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