tert-Butylmalononitrile

C₇H₁₀N₂CAS 4210-60-0122.17 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₇H₁₀N₂
Molar mass: 122.17 g/mol
Exact mass: 122.0844 Da
logP: 1.70Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301+H311 Toxic if swallowed or in contact with skin33.3% of notifiers
H301 Toxic if swallowed66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H330 Fatal if inhaled33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4210-60-0

SMILES

CC(C)(C)C(C#N)C#N

InChIKey

TUJPHMQZSDKRSL-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2/c1-7(2,3)6(4-8)5-9/h6H,1-3H3

Weigh it out

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

Names and synonyms

1 names

t-Butylmalononitrile

Work with tert-Butylmalononitrile

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

2,2-Dimethylcyclopropanecarbonitrile5722-11-243 % similar Isobutyronitrile78-82-035 % similar Triptane464-06-232 % similar 2-Chloropropionitrile1617-17-030 % similar Lactonitrile78-97-730 % similar

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

Same formula

2,4-Dimethylpyridin-3-amine1073-21-8 4-Dimethylaminopyridine1122-58-3 4,6-Dimethyl-3-pyridinamine1193-71-1 4-Pyridineethanamine13258-63-4 2-Ethyl-5-methylpyrazine13360-64-0 2,3,5-Trimethylpyrazine14667-55-1 3-Methyl-2-pyridinemethanamine153936-26-6 2-Ethyl-3-methylpyrazine15707-23-0

Elsewhere

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