Tetrahydro-2H-pyran-4-carbonitrile

C₆H₉NOCAS 4295-99-2111.14 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₆H₉NO
Molar mass: 111.14 g/mol
Exact mass: 111.0684 Da
Density: 1.0343 g/mL (at 20 °C)
Boiling point: 82–83 °C (at 10 Torr)
logP: 0.94Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4295-99-2

SMILES

N#CC1CCOCC1

InChIKey

RLZJFTOYCVIYLE-UHFFFAOYSA-N

InChI

InChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h6H,1-4H2

Weigh it out

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

Names and synonyms

4 names

2H-Pyran-4-carbonitrile, tetrahydro-
4-Cyanotetrahydropyran
Tetrahydropyran-4-carbonitrile
Oxane-4-carbonitrile

Work with Tetrahydro-2H-pyran-4-carbonitrile

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

Oxolane-3-carbonitrile14631-44-871 % similar Cyclopropyl cyanide5500-21-061 % similar Cyclopentanecarbonitrile4254-02-855 % similar Cyclobutanecarbonitrile4426-11-355 % similar Cyclohexanecarbonitrile766-05-252 % similar 4-Cyanocyclohexanone cyclic ethylene acetal69947-09-750 % similar 4-Ethynyltetrahydro-2H-py...1202245-65-548 % similar 4-Cyanopiperidine4395-98-648 % similar

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

Same formula

5-Methyl-2-furanmethanamine14003-16-8 1-(Hydroxymethyl)cyclopropaneacetonitrile152922-71-9 Trimethyloxazole20662-84-4 Cyclopentyl isocyanate4747-71-1 3-Amino-2-cyclohexen-1-one5220-49-5 5-Ethenyl-2-pyrrolidinone7529-16-0 2-Acetyl-1-pyrroline85213-22-5 N-Vinylpyrrolidone88-12-0

Elsewhere

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