4,4'-Azobis(4-cyano-1-pentanol)

C₁₂H₂₀N₄O₂CAS 4693-47-4252.32 g/mol

Open in Covalent MOL file

Alcohol Azo Nitrile

Properties

Molecular formula: C₁₂H₂₀N₄O₂
Molar mass: 252.32 g/mol
Exact mass: 252.1586 Da
logP: 1.55Crippen estimate
Polar surface area: 112.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4693-47-4

SMILES

CC(CCCO)(C#N)N=NC(C)(CCCO)C#N

InChIKey

IWTIJBANDVIHPX-UHFFFAOYSA-N

InChI

InChI=1S/C12H20N4O2/c1-11(9-13,5-3-7-17)15-16-12(2,10-14)6-4-8-18/h17-18H,3-8H2,1-2H3

Weigh it out

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

Work with 4,4'-Azobis(4-cyano-1-pentanol)

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]13472-08-750 % similar 4,4′-Azobis[4-cyanopentanoic acid]2638-94-050 % similar 2,2′-Azobis[2,4-dimethylvaleronitrile]4419-11-845 % similar Abcn2094-98-634 % similar Azobisisobutyronitrile78-67-133 % similar 4,4,4-Trifluoro-1-butanol461-18-732 % similar 1-Hydroxycyclohexanecarbonitrile931-97-531 % similar 3,3-Dimethyl-1-butanol624-95-330 % similar

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

Same formula

tert-Butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole-5-carboxylate398491-61-7 Hexazinone51235-04-2

Elsewhere

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