(4R,5S,6S,7R)-1,3-Dibutyl-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153223-22-4]

Identification

• Name: (4R,5S,6S,7R)-1,3-Dibutyl-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-4,7-Bis(Benzyl)-1,3-Dibutyl-5,6-Dihydroxy-1,3-Diazepan-2-One; 2H-1,3-Diazepin-2-One, 1,3-Dibutylhexahydro-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-, (4R,5S,6S,7R)-; Aids-033339
• Molecular Formula: C₂₇H₃₈N₂O₃
• Molecular Weight: 438.61
• CAS Registry Number: 153223-22-4
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CCCC)CCCC)CC3=CC=CC=C3
• InChI: 1S/C27H38N2O3/c1-3-5-17-28-23(19-21-13-9-7-10-14-21)25(30)26(31)24(20-22-15-11-8-12-16-22)29(27(28)32)18-6-4-2/h7-16,23-26,30-31H,3-6,17-20H2,1-2H3/t23-,24-,25+,26+/m1/s1
• InChIKey: USVBEQBEZXWMMT-XPGKHFPBSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 591.084°C at 760 mmHg (Cal.)
• Flash point: 311.277°C (Cal.)