(betaS)-beta-Amino-Benzenepropanoic Acid 1,1-Dimethylethyl Ester
[CAS# 120686-18-2]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ester >> Butyl ester compound
• Name: (betaS)-beta-Amino-Benzenepropanoic Acid 1,1-Dimethylethyl Ester
• Synonyms: [(1S)-3-Tert-Butoxy-3-Oxo-1-Phenyl-Propyl]Ammonium; [(1S)-3-Tert-Butoxy-3-Oxo-1-Phenylpropyl]Ammonium; [(1S)-3-Tert-Butoxy-3-Keto-1-Phenyl-Propyl]Ammonium
• Molecular Formula: C₁₃H₂₀NO₂
• Molecular Weight: 222.31
• CAS Registry Number: 120686-18-2
• SMILES: [C@H]([NH3+])(CC(OC(C)(C)C)=O)C1=CC=CC=C1
• InChI: 1S/C13H19NO2/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3/p+1/t11-/m0/s1
• InChIKey: TYYCBAISLMKLMT-NSHDSACASA-O

Properties

• Boiling point: 318.744°C at 760 mmHg (Cal.)
• Flash point: 170.611°C (Cal.)