3-[(1,1-Dimethylethyl)amino]propanenitrile

C₇H₁₄N₂CAS 21539-53-7126.20 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₇H₁₄N₂
Molar mass: 126.20 g/mol
Exact mass: 126.1157 Da
Boiling point: 50–52 °C (at 1 Torr)
logP: 1.29Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

21539-53-7

SMILES

CC(C)(C)NCCC#N

InChIKey

DGXPYBHONIFYLU-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2/c1-7(2,3)9-6-4-5-8/h9H,4,6H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

Propanenitrile, 3-[(1,1-dimethylethyl)amino]-
Propionitrile, 3-(tert-butylamino)-
3-(tert-Butylamino)propionitrile
3-[(tert-Butyl)amino]propanenitrile
N-tert-Butylcyanoethylamine

Work with 3-[(1,1-Dimethylethyl)amino]propanenitrile

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

3-(tert-Octylamino)propionitrile86375-28-255 % similar N,N′-Di-tert-butylethylenediamine4062-60-652 % similar 3-(Methylamino)propanenitrile693-05-048 % similar Idpn (chemical)111-94-448 % similar (2-Cyanoethyl)hydrazine353-07-142 % similar 2-(tert-Butylamino)ethanol4620-70-642 % similar 3-(Butylamino)propionitrile693-51-640 % similar 3-(Cyclopropylamino)propionitrile58196-47-739 % similar

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

Same formula

5-Methyl-1H-hexahydropyrrolo[3,4-B]pyrrole132414-59-6 1-Allylpiperazine13961-36-9 (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-40-0 (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-42-2 1-Cyclopropylpiperazine20327-23-5 1,4-Diazobicylco[3.2.2]nonane283-38-5 N-Amino-3-azabicyclo[3.3.0]octane54528-00-6 N,N′-Diisopropylcarbodiimide693-13-0

Elsewhere

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