Hexyl 2-amino-4-phenylbutanoate hydrochloride (1:1)
[CAS# 87253-05-2]

Identification

• Name: Hexyl 2-amino-4-phenylbutanoate hydrochloride (1:1)
• Synonyms: Benzenebutanoic acid, α-amino-, hexyl ester, hydrochloride, (±)-; Butyric acid, 2-amino-4-phenyl-, hexyl ester, hydrochloride, DL-
• Molecular Formula: C₁₆H₂₆ClNO₂
• Molecular Weight: 299.84
• CAS Registry Number: 87253-05-2
• SMILES: Cl.O=C(OCCCCCC)C(N)CCc1ccccc1
• InChI: 1S/C16H25NO2.ClH/c1-2-3-4-8-13-19-16(18)15(17)12-11-14-9-6-5-7-10-14;/h5-7,9-10,15H,2-4,8,11-13,17H2,1H3;1H
• InChIKey: KZLVLNVMEIKOCQ-UHFFFAOYSA-N

Properties

• Boiling point: 372.5°C at 760 mmHg (Cal.)
• Flash point: 212.6°C (Cal.)