Methyl (2S)-amino(1,4-cyclohexadien-1-yl)acetate
[CAS# 754920-13-3]

Identification

• Name: Methyl (2S)-amino(1,4-cyclohexadien-1-yl)acetate
• Synonyms: (S)-methyl 2-amino-2-(cyclohexa-1,4-dien-1-yl)acetate
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.21
• CAS Registry Number: 754920-13-3
• SMILES: COC(=O)[C@H](C1=CCC=CC1)N
• InChI: 1S/C9H13NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-3,6,8H,4-5,10H2,1H3/t8-/m0/s1
• InChIKey: ZENSQKXTWLKIKK-QMMMGPOBSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 234.705°C at 760 mmHg (Cal.)
• Flash point: 101.027°C (Cal.)
• Refractive index: 1.525 (Cal.)