chempirical

7-Cyanoheptanal

C8H13NOCAS 13050-09-4139.20 g/mol

Open in Covalent MOL file
NO
AldehydeNitrile

Properties

Molecular formula
C8H13NO
Molar mass
139.20 g/mol
Exact mass
139.0997 Da
logP
2.05Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

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
13050-09-4
SMILES
C(CCCC#N)CCC=O
InChIKey
GPIYCUTWSGJWLF-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO/c9-7-5-3-1-2-4-6-8-10/h8H,1-6H2

Weigh it out

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

Names and synonyms

2 names
  • 8-Oxooctanenitrile
  • 8-Oxo-octanenitrile

Reactions

Work with 7-Cyanoheptanal

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

4-Oxobutanenitrile3515-93-364 % similar Nonanedinitrile1675-69-060 % similar Sebaconitrile1871-96-160 % similar Dodecanedinitrile4543-66-260 % similar Octanedinitrile629-40-360 % similar Pimelonitrile646-20-860 % similar Hexanedial1072-21-555 % similar Adiponitrile111-69-355 % similar

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

Same formula

Vinylcaprolactam2235-00-9 trans-1-Isocyanato-4-methylcyclohexane32175-00-1 Tropinone532-24-1 1-Cyclopropylpiperidin-4-one62813-01-8 3-Amino-5,5-dimethyl-2-cyclohexen-1-one873-95-0

Elsewhere

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