1-Hydroxycyclohexanecarbonitrile
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
- Water solubility
- 10–50 g/L (23.5 °C)
- logP
- 1.21Crippen estimate
- Polar surface area
- 44.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H300 Fatal if swallowed100% of notifiers
- H310 Fatal in contact with skin56.6% of notifiers
- H315 Causes skin irritation56.6% of notifiers
- H318 Causes serious eye damage56.6% of notifiers
- H319 Causes serious eye irritation56.6% of notifiers
- H330 Fatal if inhaled56.6% of notifiers
- H400 Very toxic to aquatic life60.6% of notifiers
- H410 Very toxic to aquatic life with long lasting effects60.6% of notifiers
Aggregated from 99 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
931-97-5SMILES
N#CC1(O)CCCCC1InChIKey
ZDBRPNZOTCHLSP-UHFFFAOYSA-NInChI
InChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-5H2Weigh 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
1,1'-Ethynylenedicyclohexanol78-54-663 % similar
1-Ethynylcyclohexanol78-27-348 % similar
1,1'-Azobis(cyclohexanecarbonitrile)2094-98-646 % similar
1-(1-Propynyl)cyclohexanol697-37-044 % 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
Tanimoto similarity of circular fingerprints over the whole catalogue.