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

Molecule SVG Image

Properties Simple | Detailed

Formula C14H16BrClN2O2
IUPAC Name 4-[2-bromoethyl(methyl)amino]but-2-ynyl n-(3-chlorophenyl)carbamate
Molecular Mass 359.646 g·mol−1
Heat of Formation -58.6 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 365.28 Å 3
Surface Area 350.72 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((2-bromoethyl)methylamino)-2-butynyl (3-chlorophenyl)carbamate
  • 4-((2-bromoethyl)methylamino)-2-butynyl n-(3-chlorophenyl)carbamate
  • 4-(2-bromoethyl-methyl-amino)but-2-ynyl n-(3-chlorophenyl)carbamate
  • 4-(2-bromoethyl-methylamino)but-2-ynyl n-(3-chlorophenyl)carbamate
  • br-384
  • carbamic acid, (3-chlorophenyl)-, 4-((2-bromoethyl)methylamino)-2-butynyl ester
  • n-(3-chlorophenyl)carbamic acid 4-(2-bromoethyl-methyl-amino)but-2-ynyl ester
  • n-(3-chlorophenyl)carbamic acid 4-(2-bromoethyl-methylamino)but-2-ynyl ester
InChIKey SWJSAKZDVODBPF-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N Br