4-Amidino-2-Benzoylphenyl 4-Guanidinobenzoate Dimethanesulfonate
[CAS# 80251-34-9]

Identification

• Name: 4-Amidino-2-Benzoylphenyl 4-Guanidinobenzoate Dimethanesulfonate
• Synonyms: (2-Benzoyl-4-Carbamimidoyl-Phenyl) 4-Guanidinobenzoate; Methanesulfonic Acid; 4-Guanidinobenzoic Acid (2-Benzoyl-4-Carbamimidoylphenyl) Ester; Methanesulfonic Acid; 4-Guanidinobenzoic Acid (4-Amidino-2-Benzoyl-Phenyl) Ester; Methanesulfonic Acid
• Molecular Formula: C₂₄H₂₇N₅O₉S₂
• Molecular Weight: 593.63
• CAS Registry Number: 80251-34-9
• SMILES: C[S](O)(=O)=O.C[S](O)(=O)=O.C1=C(C=CC(=C1C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(N=C(N)N)C=C3)C(N)=N
• InChI: 1S/C22H19N5O3.2CH4O3S/c23-20(24)15-8-11-18(17(12-15)19(28)13-4-2-1-3-5-13)30-21(29)14-6-9-16(10-7-14)27-22(25)26;2*1-5(2,3)4/h1-12H,(H3,23,24)(H4,25,26,27);2*1H3,(H,2,3,4)
• InChIKey: MASNIQZTUDXGDC-UHFFFAOYSA-N

Properties

• Boiling point: 697.4°C at 760 mmHg (Cal.)
• Flash point: 375.5°C (Cal.)