Benzyl 2-Amino-3-Phenylpropanoate; 4-Methylbenzenesulfonic Acid
[CAS# 962-39-0]

Identification

• Name: Benzyl 2-Amino-3-Phenylpropanoate; 4-Methylbenzenesulfonic Acid
• Synonyms: Benzyl 2-Amino-3-Phenyl-Propanoate; 4-Methylbenzenesulfonic Acid; 2-Amino-3-Phenylpropanoic Acid Benzyl Ester; 4-Methylbenzenesulfonic Acid; 2-Amino-3-Phenyl-Propionic Acid Benzyl Ester; 4-Methylbenzenesulfonic Acid
• Molecular Formula: C₂₃H₂₅NO₅S
• Molecular Weight: 427.51
• CAS Registry Number: 962-39-0
• EINECS: 213-511-0
• SMILES: C1=CC=CC=C1CC(C(OCC2=CC=CC=C2)=O)N.C3=CC(=CC=C3[S](O)(=O)=O)C
• InChI: 1S/C16H17NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15H,11-12,17H2;2-5H,1H3,(H,8,9,10)
• InChIKey: ZLZGBBIPWXUQST-UHFFFAOYSA-N

Properties

• Boiling point: 382.8°C at 760 mmHg (Cal.)
• Flash point: 220.3°C (Cal.)