Naboctate
[CAS# 74912-19-9]

Identification

• Name: Naboctate
• Synonyms: [6,6-Dimethyl-3-(1-Methyloctyl)-7,8,9,10-Tetrahydrobenzo[C]Chromen-1-Yl] 5-Diethylaminopentanoate; 5-Diethylaminopentanoic Acid [6,6-Dimethyl-3-(1-Methyloctyl)-7,8,9,10-Tetrahydrobenzo[C]Chromen-1-Yl] Ester; 5-Diethylaminovaleric Acid [6,6-Dimethyl-3-(1-Methyloctyl)-7,8,9,10-Tetrahydrobenzo[C]Chromen-1-Yl] Ester
• Molecular Formula: C₃₃H₅₃NO₃
• Molecular Weight: 511.79
• CAS Registry Number: 74912-19-9
• SMILES: C1=C(C=C(OC(=O)CCCCN(CC)CC)C2=C1OC(C3=C2CCCC3)(C)C)C(CCCCCCC)C
• InChI: 1S/C33H53NO3/c1-7-10-11-12-13-18-25(4)26-23-29(36-31(35)21-16-17-22-34(8-2)9-3)32-27-19-14-15-20-28(27)33(5,6)37-30(32)24-26/h23-25H,7-22H2,1-6H3
• InChIKey: LKZQTNSAWVCNMU-UHFFFAOYSA-N

Properties

• Density: 1.024g/cm³ (Cal.)
• Boiling point: 595.874°C at 760 mmHg (Cal.)
• Flash point: 314.173°C (Cal.)