3-[(1-Cyanoethyl)amino]benzoic acid
[CAS# 70667-85-5]

Identification

• Name: 3-[(1-Cyanoethyl)amino]benzoic acid
• Synonyms: 3-((1-cyanoethyl)amino)benzoic acid
• Molecular Formula: C₁₀H₁₀N₂O₂
• Molecular Weight: 190.20
• CAS Registry Number: 70667-85-5
• SMILES: CC(C#N)Nc1cccc(c1)C(=O)O
• InChI: 1S/C10H10N2O2/c1-7(6-11)12-9-4-2-3-8(5-9)10(13)14/h2-5,7,12H,1H3,(H,13,14)
• InChIKey: ABKMSVCCWDLPQS-UHFFFAOYSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 447.28°C at 760 mmHg (Cal.)
• Flash point: 224.307°C (Cal.)