3-{4-Chloro-1-[(Diaminomethylene)Amino]-7-Isoquinolinyl}Benzoic Acid Hydrate (1:1)
[CAS# 423158-56-9]

Identification

• Name: 3-{4-Chloro-1-[(Diaminomethylene)Amino]-7-Isoquinolinyl}Benzoic Acid Hydrate (1:1)
• Molecular Formula: C₁₇H₁₅ClN₄O₃
• Molecular Weight: 358.78
• CAS Registry Number: 423158-56-9
• SMILES: O=C(O)c3cc(c2ccc1c(Cl)cnc(\N=C(/N)N)c1c2)ccc3.O
• InChI: 1S/C17H13ClN4O2.H2O/c18-14-8-21-15(22-17(19)20)13-7-10(4-5-12(13)14)9-2-1-3-11(6-9)16(23)24;/h1-8H,(H,23,24)(H4,19,20,21,22);1H2
• InChIKey: DYZRDBKELLQRPW-UHFFFAOYSA-N

Properties

• Boiling point: 654.4°C at 760 mmHg (Cal.)
• Flash point: 349.6°C (Cal.)
• Refractive index: (Cal.)