(betaS)-beta-Amino-Benzenebutanoic Acid 1,1-Dimethylethyl Ester
[CAS# 120686-17-1]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ester >> Butyl ester compound
• Name: (betaS)-beta-Amino-Benzenebutanoic Acid 1,1-Dimethylethyl Ester
• Synonyms: [(1R)-3-Tert-Butoxy-3-Oxo-1-(Phenylmethyl)Propyl]Ammonium; [(1R)-1-(Benzyl)-3-Tert-Butoxy-3-Keto-Propyl]Ammonium; [(2R)-4-[(2-Methylpropan-2-Yl)Oxy]-4-Oxo-1-Phenyl-Butan-2-Yl]Azanium
• Molecular Formula: C₁₄H₂₂NO₂
• Molecular Weight: 236.33
• CAS Registry Number: 120686-17-1
• SMILES: [C@@H]([NH3+])(CC1=CC=CC=C1)CC(OC(C)(C)C)=O
• InChI: 1S/C14H21NO2/c1-14(2,3)17-13(16)10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3/p+1/t12-/m1/s1
• InChIKey: ZIJHIHDFXCNFAA-GFCCVEGCSA-O

Properties

• Boiling point: 339.509°C at 760 mmHg (Cal.)
• Flash point: 187.028°C (Cal.)