2-(Diethylamino)acetonitrile

C₆H₁₂N₂CAS 3010-02-4112.18 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₆H₁₂N₂
Molar mass: 112.18 g/mol
Exact mass: 112.1000 Da
Boiling point: 170 °C
logP: 0.85Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed100% of notifiers
H310 Fatal in contact with skin52% of notifiers
H311 Toxic in contact with skin47.5% of notifiers
H318 Causes serious eye damage19% of notifiers
H319 Causes serious eye irritation29% of notifiers
H330 Fatal if inhaled52% of notifiers
H331 Toxic if inhaled46.5% of notifiers
H411 Toxic to aquatic life with long lasting effects52% of notifiers

Aggregated from 200 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P337+P317, P361+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3010-02-4

SMILES

CCN(CC)CC#N

InChIKey

LVPZSMIBSMMLPI-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Acetonitrile, 2-(diethylamino)-
Acetonitrile, (diethylamino)-
Glycinonitrile, N,N-diethyl-
N,N-Diethylaminoacetonitrile
Diethylaminoacetonitrile
NSC 15878

Reactions

DIETHYLAMINOACETONITRILE (Acetonitrile, diethylamino-)product

Work with 2-(Diethylamino)acetonitrile

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

Pyrrolidine-1-acetonitrile29134-29-050 % similar 2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)125678-52-648 % similar 1-Piperidineacetonitrile3010-03-548 % similar Diethylpropargylamine4079-68-948 % similar Dimethylaminoacetonitrile926-64-745 % similar Triethylamine121-44-844 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-640 % similar 1,4-Diethylpiperazine6483-50-740 % similar

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

Same formula

2-Amino-2,3-dimethylbutanenitrile13893-53-3 1,2-Diazaspiro[2.5]octane185-79-5 Dabco280-57-9 1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine4271-96-9

Elsewhere

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