(2R,3S)-3-(Dibenzylamino)-2-hydroxy-5-methylhexyl hexanoate
[CAS# 871948-94-6]

Identification

• Name: (2R,3S)-3-(Dibenzylamino)-2-hydroxy-5-methylhexyl hexanoate
• Synonyms: (2R,3S)-3-(dibenzylamino)-2-hydroxy-5-methylhexyl hexanoate
• Molecular Formula: C₂₇H₃₉NO₃
• Molecular Weight: 425.60
• CAS Registry Number: 871948-94-6
• SMILES: O=C(OC[C@H](O)[C@@H](N(Cc1ccccc1)Cc2ccccc2)CC(C)C)CCCCC
• InChI: 1S/C27H39NO3/c1-4-5-8-17-27(30)31-21-26(29)25(18-22(2)3)28(19-23-13-9-6-10-14-23)20-24-15-11-7-12-16-24/h6-7,9-16,22,25-26,29H,4-5,8,17-21H2,1-3H3/t25-,26-/m0/s1
• InChIKey: QZVFMGPBMKBFFB-UIOOFZCWSA-N

Properties

• Density: 1.046g/cm³ (Cal.)
• Boiling point: 549.207°C at 760 mmHg (Cal.)
• Flash point: 285.95°C (Cal.)
• Refractive index: 1.539 (Cal.)