3-(1-Carbamimidamido-4-chloro-7-isoquinolinyl)benzoic acid
[CAS# 223671-94-1]

Identification

• Name: 3-(1-Carbamimidamido-4-chloro-7-isoquinolinyl)benzoic acid
• Synonyms: 3-(4-Chloro-1-guanidino-isoquinolin-7-yl)-benzoic acid
• Molecular Formula: C₁₇H₁₃ClN₄O₂
• Molecular Weight: 340.76
• CAS Registry Number: 223671-94-1
• SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC3=C(C=C2)C(=CN=C3NC(=N)N)Cl
• InChI: 1S/C17H13ClN4O2/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)
• InChIKey: UXNWIRHZMHGOCE-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 596.9±60.0°C at 760 mmHg (Cal.)
• Flash point: 314.8±32.9°C (Cal.)
• Refractive index: 1.716 (Cal.)