(3S,4R,6S)-4-Ethyl-1,3-dimethyl-6-phenyl-3,4-piperidinediol
[CAS# 85866-53-1]

Identification

• Name: (3S,4R,6S)-4-Ethyl-1,3-dimethyl-6-phenyl-3,4-piperidinediol
• Synonyms: (3-α,4-α,6-β)-1,3-Dimethyl-4-ethyl-6-phenyl-3,4-piperidinediol; 3,4-Piperidinediol, 1,3-dimethyl-4-ethyl-6-phenyl-, (3-α,4-α,6-β)-
• Molecular Formula: C₁₅H₂₃NO₂
• Molecular Weight: 249.35
• CAS Registry Number: 85866-53-1
• SMILES: O[C@]2(C)[C@](O)(C[C@@H](c1ccccc1)N(C)C2)CC
• InChI: 1S/C15H23NO2/c1-4-15(18)10-13(12-8-6-5-7-9-12)16(3)11-14(15,2)17/h5-9,13,17-18H,4,10-11H2,1-3H3/t13-,14-,15+/m0/s1
• InChIKey: ZMJIRVJCHYCCPR-SOUVJXGZSA-N

Properties

• Density: 1.084g/cm³ (Cal.)
• Boiling point: 373.103°C at 760 mmHg (Cal.)
• Flash point: 173.689°C (Cal.)