4-[(2-Chloroethyl)(Methyl)Amino]-2-Butyn-1-Yl (3-Chlorophenyl)Carbamate

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Properties Simple | Detailed

Formula C14H16Cl2N2O2
IUPAC Name 4-[2-chloroethyl(methyl)amino]but-2-ynyl n-(3-chlorophenyl)carbamate
Molecular Mass 315.195 g·mol−1
Heat of Formation -107.4 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 359.08 Å 3
Surface Area 345.5 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((2-chloroethyl)methylamino)-2-butynyl (3-chlorophenyl)carbamate
  • 4-((2-chloroethyl)methylamino)-2-butynyl n-(3-chlorophenyl)carbamate
  • 4-(2-chloroethyl-methyl-amino)but-2-ynyl n-(3-chlorophenyl)carbamate
  • 4-(2-chloroethyl-methylamino)but-2-ynyl n-(3-chlorophenyl)carbamate
  • br-383
  • carbamic acid, (3-chlorophenyl)-, 4-((2-chloroethyl)methylamino)-2-butynyl ester
  • n-(3-chlorophenyl)carbamic acid 4-(2-chloroethyl-methyl-amino)but-2-ynyl ester
  • n-(3-chlorophenyl)carbamic acid 4-(2-chloroethyl-methylamino)but-2-ynyl ester
InChIKey UAJSBXOPWFLIRI-UHFFFAOYSA-N
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Elements H C N O Cl