(4S,5S)-4-Amino-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
[CAS# 802618-02-6]

Identification

• Name: (4S,5S)-4-Amino-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
• Synonyms: (4S,5S)-4-amino-7,9-dimethyl-2,3,4,5-tetrahydrobenzo[b]oxepin-5-ol
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.27
• CAS Registry Number: 802618-02-6
• SMILES: Cc1cc(c2c(c1)[C@@H]([C@H](CCO2)N)O)C
• InChI: 1S/C12H17NO2/c1-7-5-8(2)12-9(6-7)11(14)10(13)3-4-15-12/h5-6,10-11,14H,3-4,13H2,1-2H3/t10-,11-/m0/s1
• InChIKey: VDEWPVHXYKNGDA-QWRGUYRKSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 343.126°C at 760 mmHg (Cal.)
• Flash point: 161.317°C (Cal.)
• Refractive index: 1.566 (Cal.)