2-Methyl-2-Propanyl [6-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-Thieno[3,4-d]Imidazol-4-Yl]Pentanoyl}Amino)Hexyl]Carbamate
[CAS# 153162-70-0]

Identification

• Name: 2-Methyl-2-Propanyl [6-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-Thieno[3,4-d]Imidazol-4-Yl]Pentanoyl}Amino)Hexyl]Carbamate
• Synonyms: N-Biotinyl-N'-Boc-1,6-hexanediamine
• Molecular Formula: C₂₁H₃₈N₄O₄S
• Molecular Weight: 442.62
• CAS Registry Number: 153162-70-0
• SMILES: O=C1N[C@@H]2[C@@H](SC[C@@H]2N1)CCCCC(=O)NCCCCCCNC(=O)OC(C)(C)C
• InChI: 1S/C21H38N4O4S/c1-21(2,3)29-20(28)23-13-9-5-4-8-12-22-17(26)11-7-6-10-16-18-15(14-30-16)24-19(27)25-18/h15-16,18H,4-14H2,1-3H3,(H,22,26)(H,23,28)(H2,24,25,27)/t15-,16-,18-/m0/s1
• InChIKey: SVLNCGHFZLQFOA-BQFCYCMXSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 719.313°C at 760 mmHg (Cal.)
• Flash point: 388.827°C (Cal.)
• Refractive index: 1.511 (Cal.)