5-[(3aS,6R,6aR)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-Dodecylpentanamide
[CAS# 128631-44-7]

Identification

• Name: 5-[(3aS,6R,6aR)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-Dodecylpentanamide
• Synonyms: 5-[(3As,6R,6Ar)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-Dodecyl-Pentanamide; 5-[(3As,6R,6Ar)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-Lauryl-Valeramide; 1H-Thieno(3,4-D)Imidazole-4-Pentanamide, N-Dodecylhexahydro-2-Oxo-, (3Ar-(3Aalpha,4Beta,6Aalpha))-
• Molecular Formula: C₂₂H₄₁N₃O₂S
• Molecular Weight: 411.64
• CAS Registry Number: 128631-44-7
• SMILES: [C@H]12NC(N[C@H]1[C@H](SC2)CCCCC(=O)NCCCCCCCCCCCC)=O
• InChI: 1S/C22H41N3O2S/c1-2-3-4-5-6-7-8-9-10-13-16-23-20(26)15-12-11-14-19-21-18(17-28-19)24-22(27)25-21/h18-19,21H,2-17H2,1H3,(H,23,26)(H2,24,25,27)/t18-,19-,21-/m1/s1
• InChIKey: VHLKJKKVTXPBJX-SFHLNBCPSA-N

Properties

• Density: 1.024g/cm³ (Cal.)
• Boiling point: 648.457°C at 760 mmHg (Cal.)
• Flash point: 345.975°C (Cal.)