Methylcyclohexane-D14

C₇D₁₄CAS 10120-28-2112.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇D₁₄
Molar mass: 112.27 g/mol
Exact mass: 112.1974 Da
logP: 2.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways100% of notifiers
H315 Causes skin irritation100% of notifiers
H336 May cause drowsiness or dizziness100% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

10120-28-2

SMILES

[2H]C([2H])([2H])C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

InChIKey

UAEPNZWRGJTJPN-OBYKGMMLSA-N

InChI

InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D

Weigh it out

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

Names and synonyms

4 names

Cyclohexane-1,1,2,2,3,3,4,4,5,5,6-d11, 6-(methyl-d3)-
Cyclohexane-d11, methyl-d3-
6-(Methyl-d3)cyclohexane-1,1,2,2,3,3,4,4,5,5,6-d11
(2H14)Methylcyclohexane

Work with Methylcyclohexane-D14

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methylcyclohexane108-87-2Unlabelled

Same formula

trans-3-Heptene14686-14-7 Ethylcyclopentane1640-89-7 2,4-Dimethyl-1-pentene2213-32-3 1,2-Dimethylcyclopentane2452-99-5 Cycloheptane291-64-5 2,3-Dimethylpent-1-ene3404-72-6 5-Methyl-1-hexene3524-73-0

Elsewhere

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