(6Ar,10Ar)-6,6,9-Trimethyl-3-Pentyl-6A,7,8,10A-Tetrahydro-6H-Benzo[C]Chromen-1-Yl Bis(2-Chloroethyl)Carbamate

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Formula C26H37Cl2NO3
IUPAC Name [(6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] n,n-bis(2-chloroethyl)carbamate
Molecular Mass 482.483 g·mol−1
Heat of Formation -458.7 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 580.86 Å 3
Surface Area 449.73 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • [(6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] n,n-bis(2-chloroethyl)carbamate
  • 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)-
  • delta(9)-thc-nitrogen mustard
  • delta-9-tetrahydrocannabinol dichloroethyl carbamoyl 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
  • 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
  • thc-mustard
CAS Number(s)
  • 82459-41-4
InChIKey LKMMUENAKRKKJS-NHCUHLMSSA-N
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