chempirical

4,4'-Azobis(4-cyanopentanoic acid)

C12H16N4O4CAS 2638-94-0280.28 g/mol

Open in Covalent MOL file
NOHONNNOOH
AzoCarboxylic acidNitrile

Properties

Molecular formula
C12H16N4O4
Molar mass
280.28 g/mol
Exact mass
280.1172 Da
Melting point
120–123 °C (decomposes)
logP
1.73Crippen estimate
Polar surface area
146.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
8

Identifiers

CAS number
2638-94-0
SMILES
CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O
InChIKey
VFXXTYGQYWRHJP-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all
  • Pentanoic acid, 4,4′-(1,2-diazenediyl)bis[4-cyano-
  • Valeric acid, 4,4′-azobis[4-cyano-
  • Pentanoic acid, 4,4′-azobis[4-cyano-
  • 4,4′-(1,2-Diazenediyl)bis[4-cyanopentanoic acid]
  • 4,4′-Azobis[4-cyanopentanoic acid]
  • Azobis(cyanovaleric acid)
  • 4,4′-Azobis[4-cyanovaleric acid]
  • V 501
  • 4,4′-Azobis(cyanovaleric acid)
  • 4,4′-Azobis(4-cyanopentanecarboxylic acid)
  • ACV-A
  • NSC 114466
  • ABCVA
  • VA 501
  • Vazo 68WSP
  • Vazo 68
  • NC 25
  • NC 25 (catalyst)
  • ABCPA
  • Vazo V 501
  • 4,4-Azobis(4-cyanovaleric acid)
  • 4,4′-Azobiscyanopentanoic acid
  • ACA

Work with 4,4'-Azobis(4-cyanopentanoic acid)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Azobis[2-methylbutyronitrile]13472-08-744 % similar 2,2-Dimethylglutaric acid681-57-243 % similar 1-Cyanocyclohexaneacetic acid133481-09-141 % similar 2,2′-Azobis[2,4-dimethylvaleronitrile]4419-11-841 % similar 4,4,4-Trifluorobutanoic acid406-93-940 % similar Succinic acid110-15-637 % similar Diphenolic acid126-00-136 % similar N-Methyl-β-alanine2679-14-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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