3-Amino-4-(1H-indol-3-yl)butanoic acid
[CAS# 736131-01-4]

Identification

• Name: 3-Amino-4-(1H-indol-3-yl)butanoic acid
• Synonyms: 3-Amino-4-(1H-indol-3-yl)-butyric acid; 4-(indol-3-yl)-DL-β-homoalanine
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.25
• CAS Registry Number: 736131-01-4
• SMILES: O=C(O)CC(N)Cc2c1ccccc1nc2
• InChI: 1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)
• InChIKey: DUVVFMLAHWNDJD-UHFFFAOYSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 462.255°C at 760 mmHg (Cal.)
• Flash point: 233.363°C (Cal.)
• Refractive index: 1.673 (Cal.)