Methyl 5-(Bis(2-Chloroethyl)Amino)-1-Methyl-1H-Benzimidazole-2-Acetate

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Properties Simple | Detailed

Formula C15H19Cl2N3O2
IUPAC Name methyl 2-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]acetate
Molecular Mass 344.236 g·mol−1
Heat of Formation -266.3 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 392.26 Å 3
Surface Area 351.51 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-benzimidazole-2-acetic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-, methyl ester
  • 2-[5-[bis(2-chloroethyl)amino]-1-methyl-2-benzimidazolyl]acetic acid methyl ester
  • 2-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]acetic acid methyl ester
  • 5-(bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester
  • 5-bcmba
  • methyl 2-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]acetate
  • methyl 2-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]ethanoate
  • methyl 2-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]acetate
CAS Number(s)
  • 134426-36-1
InChIKey HYCJNQJFVUSIND-UHFFFAOYSA-N
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Elements H C N O Cl