5-[(1E)-3,3-Bis(2-chloroethyl)-1-triazen-1-yl]-1H-imidazole-4-carboxamide | CAS No. 5034-77-5

5-[(1E)-3,3-Bis(2-chloroethyl)-1-triazen-1-yl]-1H-imidazole-4-carboxamide

Basic Information

CAS Number

5034-77-5

Molecular Formula

C8H12Cl2N6O

Molecular Weight

279.13 g/mol

AD

Basic Physical Properties

Boiling Point

-6.3°C (rough estimate)

Flash Point

204.9°C

Refractive Index

1.5500 (estimate)

c1[nH]c(c(n1)C(=O)N)/N=N/N(CCCl)CCCl

InChI

InChI=1S/C8H12Cl2N6O/c9-1-3-16(4-2-10)15-14-8-6(7(11)17)12-5-13-8/h5H,1-4H2,(H2,11,17)(H,12,13)/b15-14+

InChIKey

XWRSGLHADOYUFN-CCEZHUSRSA-N

LogP

1.2869

Topological Polar Surface Area

99.72999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

361

Synonyms & References

English

  • 1H-Imidazole-4-carboxamide,5-[3,3-bis(2-chloroethyl)-1-triazenyl]-
  • Imidazole
  • 5(4)-<3,3-Bis-(2-chlorethyl)-1-triazeno>-imidazol-4(5)-carboxamid
  • 5-[3,3-Bis(2-chloroethyl)-1-triazeno]-1H-imidazole-4-carboxamide
  • 5-[3,3-Bis(2-chloroethyl)-1-triazeno]-imidazole-4-carboxamide
  • 5-{3,3-bis-[(2-chloro-ethyl)-triaz-1-enyl]}-1(3)H-imidazole-4-carboxylic acid amide
  • 5-<3,3-Bis(2-chlorethyl)-I-triazeno>imidazol-4-carboxamid
  • Carboxamide,5(or 4)-3,3-bis(2-chloroethyl)-triazenoimidazole-4(or 5)
  • Ic(hn2)t
  • imidazole mustard

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