Propan-2-Yl (2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propanoate
[CAS# 110301-07-0]

Identification

• Name: Propan-2-Yl (2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propanoate
• Synonyms: Isopropyl (2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propanoate; (2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Acid Isopropyl Ester; (2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propionic Acid Isopropyl Ester
• Molecular Formula: C₁₂H₁₇NO₄
• Molecular Weight: 239.27
• CAS Registry Number: 110301-07-0
• SMILES: [C@H](N)(CC1=CC(=C(O)C=C1)O)C(OC(C)C)=O
• InChI: 1S/C12H17NO4/c1-7(2)17-12(16)9(13)5-8-3-4-10(14)11(15)6-8/h3-4,6-7,9,14-15H,5,13H2,1-2H3/t9-/m0/s1
• InChIKey: QALMBBJHULTYQU-VIFPVBQESA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 398.033°C at 760 mmHg (Cal.)
• Flash point: 194.523°C (Cal.)