chempirical

Geranyl nitrile

C10H15NCAS 5146-66-7149.24 g/mol

Open in Covalent MOL file
N
AlkeneNitrile

Properties

Molecular formula
C10H15N
Molar mass
149.24 g/mol
Exact mass
149.1204 Da
Density
0.8737 g/mL (at 20 °C)
Boiling point
78–78.5 °C (at 2 Torr)
logP
3.20Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
5146-66-7
SMILES
CC(C)=CCCC(C)=CC#N
InChIKey
HLCSDJLATUNSSI-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • 2,6-Octadienenitrile, 3,7-dimethyl-
  • 3,7-Dimethyl-2,6-octadienenitrile
  • Citralva
  • Citronitrile
  • (E/Z)-Geranonitrile

Work with Geranyl nitrile

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

Squalene111-02-457 % similar Geraniol106-24-150 % similar Nerol106-25-250 % similar Thiogeraniol39067-80-650 % similar Geranyl bromide6138-90-550 % similar trans-Farnesol106-28-548 % similar Solanesol13190-97-148 % similar Geranylgeraniol24034-73-948 % similar

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

Same formula

Isopropylbenzylamine102-97-6 4-Butylaniline104-13-2 N-Butylaniline1126-78-9 Benzenebutanamine13214-66-9 (αS)-N,N,α-Trimethylbenzenemethanamine17279-31-1 (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-9 2-Amino-p-cymene2051-53-8 1-Methyl-3-phenylpropylamine22148-77-2

Elsewhere

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