3-Amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
[CAS# 887584-12-5]

Identification

• Name: 3-Amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
• Synonyms: 1H-Indole-3-propanoic acid, β-amino-4-methyl-; 1H-INDOLE-3-PROPANOICACID, B-AMINO-4-METHYL-; 3-Amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.25
• CAS Registry Number: 887584-12-5
• SMILES: Cc1cccc2c1c(c[nH]2)C(CC(=O)O)N
• InChI: 1S/C12H14N2O2/c1-7-3-2-4-10-12(7)8(6-14-10)9(13)5-11(15)16/h2-4,6,9,14H,5,13H2,1H3,(H,15,16)
• InChIKey: JYVBTFFBVCOEPO-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 454.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 228.5±28.7°C (Cal.)
• Refractive index: 1.676 (Cal.)