3-(Methylamino)propanenitrile

C₄H₈N₂CAS 693-05-084.12 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₄H₈N₂
Molar mass: 84.12 g/mol
Exact mass: 84.0687 Da
Melting point: 49–50 °C
Boiling point: 101–104 °C (at 49 Torr)
logP: 0.12Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H312 Harmful in contact with skin97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

693-05-0

SMILES

CNCCC#N

InChIKey

UNIJBMUBHBAUET-UHFFFAOYSA-N

InChI

InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3

Weigh it out

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

Names and synonyms

16 names · show all

Propanenitrile, 3-(methylamino)-
Propionitrile, 3-(methylamino)-
β-(Methylamino)propionitrile
N-(β-Cyanoethyl)methylamine
3-(Methylamino)propionitrile
(2-Cyanoethyl)methylamine
N-Methyl-β-aminopropionitrile
N-Methyl-2-cyanoethylamine
N-Methyl-β-alaninenitrile
N-Methyl-N-(2-cyanoethyl)amine
3-(N-Methylamino)propionitrile
N-(2-Cyanoethyl)methylamine
Methyl(2-cyanoethyl)amine
NSC 8399
N-(2-Cyanoethyl)-N-methylamine
3-Methylaminopropiononitrile

Work with 3-(Methylamino)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

Idpn (chemical)111-94-455 % similar (Methylamino)acetonitrile5616-32-052 % similar 3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-748 % similar (2-Cyanoethyl)hydrazine353-07-148 % similar N-Methylaminoacetonitrile hydrochloride25808-30-446 % similar Succinonitrile110-61-244 % similar N,N′-Dimethylethylenediamine110-70-344 % similar 3-(Butylamino)propionitrile693-51-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-2-methylpropanenitrile19355-69-2 Lysidine (chemical)534-26-9 Dimethylaminoacetonitrile926-64-7

Elsewhere

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