(2S)-4-(4-Hydroxyphenyl)-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Butanoic Acid
[CAS# 198473-94-8]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Tyrosine derivatives
• Name: (2S)-4-(4-Hydroxyphenyl)-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Butanoic Acid
• Synonyms: (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-(4-hydroxyphenyl)butanoic acid; (S)-2-((tert-Butoxycarbonyl)amino)-4-(4-hydroxyphenyl)butanoic acid; (S)-2-TERT-BUTOXYCARBONYLAMINO-4-(4-HYDROXY-PHENYL)-BUTYRIC ACID
• Molecular Formula: C₁₅H₂₁NO₅
• Molecular Weight: 295.33
• CAS Registry Number: 198473-94-8
• SMILES: CC(C)(C)OC(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O
• InChI: 1S/C15H21NO5/c1-15(2,3)21-14(20)16-12(13(18)19)9-6-10-4-7-11(17)8-5-10/h4-5,7-8,12,17H,6,9H2,1-3H3,(H,16,20)(H,18,19)/t12-/m0/s1
• InChIKey: CDPGKTTZDRPESV-LBPRGKRZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 495.3±40.0°C at 760 mmHg (Cal.)
• Flash point: 253.3±27.3°C (Cal.)
• Refractive index: 1.545 (Cal.)