2-Amino-2,3-dimethylbutanenitrile

C₆H₁₂N₂CAS 13893-53-3112.18 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₆H₁₂N₂
Molar mass: 112.18 g/mol
Exact mass: 112.1000 Da
logP: 0.88Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H310 Fatal in contact with skin99.1% of notifiers
H330 Fatal if inhaled99.1% of notifiers
H400 Very toxic to aquatic life98.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects98.1% of notifiers

Aggregated from 106 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

13893-53-3

SMILES

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

InChIKey

CAOHBROWLMCZRP-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

Butanenitrile, 2-amino-2,3-dimethyl-
Butyronitrile, 2-amino-2,3-dimethyl-
2-Amino-2,3-dimethylbutyronitrile
AC 94149
(±)-2-Amino-2,3-dimethylbutyronitrile
(±)-2-Amino-2-cyano-3-methylbutane

Work with 2-Amino-2,3-dimethylbutanenitrile

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

2,3-Dimethyl-2-(1-methylethyl)butanenitrile55897-64-848 % similar 2-Amino-2-methylpropanenitrile19355-69-240 % similar 2,2'-Azobis(2-methylbutyronitrile)13472-08-733 % similar Pivalonitrile630-18-233 % similar Triptane464-06-230 % similar 2,2'-Azobis(2,4-dimethylvaleronitrile)4419-11-830 % similar

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

Same formula

1,2-Diazaspiro[2.5]octane185-79-5 Dabco280-57-9 2-(Diethylamino)acetonitrile3010-02-4 1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine4271-96-9

Elsewhere

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