(3R,5S)-7-Ethyl-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
[CAS# 780705-86-4]

Identification

• Name: (3R,5S)-7-Ethyl-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
• Synonyms: (3R,5S)-7-ethyl-3-(methylamino)-2,3,4,5-tetrahydrobenzo[b]oxepin-5-ol
• Molecular Formula: C₁₃H₁₉NO₂
• Molecular Weight: 221.30
• CAS Registry Number: 780705-86-4
• SMILES: CCc1ccc2c(c1)[C@H](C[C@H](CO2)NC)O
• InChI: 1S/C13H19NO2/c1-3-9-4-5-13-11(6-9)12(15)7-10(14-2)8-16-13/h4-6,10,12,14-15H,3,7-8H2,1-2H3/t10-,12+/m1/s1
• InChIKey: AJXBVJNCSHOTDV-PWSUYJOCSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 354.511°C at 760 mmHg (Cal.)
• Flash point: 168.203°C (Cal.)
• Refractive index: 1.559 (Cal.)