delta-9-Tetrahydrocannabinol Dichloroethyl Carbamoyl Ester
[CAS# 82459-41-4]

Identification

• Name: delta-9-Tetrahydrocannabinol Dichloroethyl Carbamoyl Ester
• Synonyms: N,N-Bis(2-Chloroethyl)Carbamic Acid [(6Ar,10Ar)-6,6,9-Trimethyl-3-Pentyl-6A,7,8,10A-Tetrahydrobenzo[C]Chromen-1-Yl] Ester; N,N-Bis(2-Chloroethyl)Carbamic Acid [(6Ar,10Ar)-3-Amyl-6,6,9-Trimethyl-6A,7,8,10A-Tetrahydrobenzo[C]Chromen-1-Yl] Ester; Carbamic Acid, Bis(2-Chloroethyl)-, 6A,7,8,10A-Tetrahydro-6,6,9-Trimethyl-3-Pentyl-6H-Dibenzo(B,D)Pyran-1-Yl Ester, (6Ar-Trans)-
• Molecular Formula: C₂₆H₃₇Cl₂NO₃
• Molecular Weight: 482.49
• CAS Registry Number: 82459-41-4
• SMILES: [C@@H]13[C@H](C(OC2=CC(=CC(=C12)OC(=O)N(CCCl)CCCl)CCCCC)(C)C)CCC(=C3)C
• InChI: 1S/C26H37Cl2NO3/c1-5-6-7-8-19-16-22(31-25(30)29(13-11-27)14-12-28)24-20-15-18(2)9-10-21(20)26(3,4)32-23(24)17-19/h15-17,20-21H,5-14H2,1-4H3/t20-,21-/m1/s1
• InChIKey: LKMMUENAKRKKJS-NHCUHLMSSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 548.553°C at 760 mmHg (Cal.)
• Flash point: 285.555°C (Cal.)