4-{[{[Amino(Imino)Methyl]Amino}(Imino)Methyl]Amino}Benzoic Acid Hydrochloride
[CAS# 22817-15-8]

Identification

• Name: 4-{[{[Amino(Imino)Methyl]Amino}(Imino)Methyl]Amino}Benzoic Acid Hydrochloride
• Synonyms: [N'-(4-Carboxyphenyl)Carbamimidoyl]-(Diaminomethylene)Ammonium; [Amino-(4-Carboxyphenyl)Iminomethyl]-(Diaminomethylene)Ammonium; Zinc03888877
• Molecular Formula: C₉H₁₂N₅O₂
• Molecular Weight: 222.23
• CAS Registry Number: 22817-15-8
• SMILES: C1=C(N=C(NC(=[NH2+])N)N)C=CC(=C1)C(O)=O
• InChI: 1S/C9H11N5O2/c10-8(11)14-9(12)13-6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)(H6,10,11,12,13,14)/p+1
• InChIKey: SQVQYPFROZNYOG-UHFFFAOYSA-O

Properties

• Boiling point: 521.877°C at 760 mmHg (Cal.)
• Flash point: 269.422°C (Cal.)