1,3,6-Hexanetricarbonitrile

C₉H₁₁N₃CAS 1772-25-4161.21 g/mol

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Properties

Molecular formula: C₉H₁₁N₃
Molar mass: 161.21 g/mol
Exact mass: 161.0953 Da
Boiling point: 186–200 °C (at 0.2 Torr)
logP: 2.12Crippen estimate
Polar surface area: 71.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

1772-25-4

SMILES

N#CCCCC(C#N)CCC#N

InChIKey

LNLFLMCWDHZINJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2

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Names and synonyms

1 names

1,3,6-Tricyanohexane

Work with 1,3,6-Hexanetricarbonitrile

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

Cyclopentanecarbonitrile4254-02-859 % similar Cyclobutanecarbonitrile4426-11-359 % similar Cyclohexanecarbonitrile766-05-257 % similar Cyclopropyl cyanide5500-21-050 % similar 2-Methylglutaronitrile4553-62-246 % similar Adiponitrile111-69-345 % similar Glutaronitrile544-13-845 % similar Nonanedinitrile1675-69-043 % similar

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

Same formula

2-Amino-5,6-dimethylbenzimidazole29096-75-1 3-Amino-1-phenyl-2-pyrazoline3314-35-0 2,3-Dimethyl-2H-indazol-6-amine444731-72-0

Elsewhere

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