chempirical

1-Hydroxycyclohexanecarbonitrile

C7H11NOCAS 931-97-5125.17 g/mol

Open in Covalent MOL file
NHO
AlcoholNitrile

Properties

Molecular formula
C7H11NO
Molar mass
125.17 g/mol
Exact mass
125.0841 Da
Density
1.0172 g/mL (at 30 °C)
Melting point
35 °C
Boiling point
119.5 °C
logP
1.21Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
931-97-5
SMILES
N#CC1(O)CCCCC1
InChIKey
ZDBRPNZOTCHLSP-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-5H2

Weigh it out

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

Names and synonyms

6 names
  • Cyclohexanecarbonitrile, 1-hydroxy-
  • 1-Cyano-1-hydroxycyclohexane
  • Cyclohexanone, cyanohydrin
  • NSC 14493
  • NSC 52190
  • 1-Hydroxycyclohexane-1-carbonitrile

Work with 1-Hydroxycyclohexanecarbonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Ethynylcyclohexanol78-27-348 % similar Abcn2094-98-646 % similar 1-Ethynylcyclopentanol17356-19-343 % similar 4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile6094-60-642 % similar 1-Cyanocyclohexaneacetic acid133481-09-139 % similar 1-Phenylcyclopentanecarbonitrile77-57-634 % similar 1-Methylcyclohexanol590-67-033 % similar Acetone cyanohydrin75-86-533 % similar

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

Same formula

Cyclohexyl isocyanate3173-53-3 N-Propargylmorpholine5799-76-8 Pivaloylacetonitrile59997-51-2 3-Ethyl-1,5-dihydro-4-methyl-2H-pyrrol-2-one766-36-9

Elsewhere

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