2-[(Cyanomethyl)Amino]-3,5-Dimethylbenzoic Acid
[CAS# 100060-25-1]

Identification

• Name: 2-[(Cyanomethyl)Amino]-3,5-Dimethylbenzoic Acid
• Synonyms: 2-((cyanomethyl)amino)-3,5-dimethylbenzoic acid
• Molecular Formula: C₁₁H₁₂N₂O₂
• Molecular Weight: 204.23
• CAS Registry Number: 100060-25-1
• SMILES: CC1=CC(=C(C(=C1)C(=O)O)NCC#N)C
• InChI: 1S/C11H12N2O2/c1-7-5-8(2)10(13-4-3-12)9(6-7)11(14)15/h5-6,13H,4H2,1-2H3,(H,14,15)
• InChIKey: QVGFHXOMVHOBLY-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 426.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 211.4±28.7°C (Cal.)
• Refractive index: 1.612 (Cal.)