Citronellyl nitrile

C₁₀H₁₇NCAS 51566-62-2151.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₇N
Molar mass: 151.25 g/mol
Exact mass: 151.1361 Da
Density: 0.7887 g/mL (at 78 °C)
Boiling point: 91.5–92 °C (at 11 Torr)
logP: 3.28Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H319 Causes serious eye irritation71% of notifiers
H412 Harmful to aquatic life with long lasting effects77.1% of notifiers

Aggregated from 1,817 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P501

Identifiers

CAS number

51566-62-2

SMILES

CC(C)=CCCC(C)CC#N

InChIKey

MTDAKBBUYMYKAR-UHFFFAOYSA-N

InChI

InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

6-Octenenitrile, 3,7-dimethyl-
3,7-Dimethyl-6-octenenitrile
3,7-Dimethyl-6-octenonitrile
Agrunitrile
Agrunitril
Citranellyl nitrile

Work with Citronellyl 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

Citronellal106-23-058 % similar (R)-Citronellal2385-77-558 % similar (S)-(-)-Citronellal5949-05-358 % similar Citronellol106-22-955 % similar (+)-Citronellol1117-61-955 % similar Citronellol26489-01-055 % similar L-Citronellol7540-51-455 % similar Citronellic acid502-47-653 % similar

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

Same formula

1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-1 3-tert-Butyl-2,4-dimethyl-1H-pyrrole151464-91-4 Amantadine768-94-5 (2E)-N,6,6-Trimethyl-2-hepten-4-yn-1-amine83554-69-2

Elsewhere

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