Aminopropionitrile

C₃H₆N₂CAS 151-18-870.09 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₃H₆N₂
Molar mass: 70.09 g/mol
Exact mass: 70.0531 Da
Density: 0.9584 g/mL (at 20 °C)
Melting point: below 25 °C
Boiling point: 185 °C
logP: -0.14Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed91.7% of notifiers
H314 Causes severe skin burns and eye damage20.8% of notifiers
H361 Suspected of damaging fertility or the unborn child93.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, P501

Identifiers

CAS number

151-18-8

SMILES

N#CCCN

InChIKey

AGSPXMVUFBBBMO-UHFFFAOYSA-N

InChI

InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2

Weigh it out

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

Names and synonyms

13 names · show all

Propanenitrile, 3-amino-
Propionitrile, 3-amino-
Propionitrile, β-amino-
3-Aminopropanenitrile
β-Alaninenitrile
β-Aminopropionitrile
3-Aminopropionitrile
BAPN
β-Cyanoethylamine
2-Cyanoethylamine
1-Cyano-2-aminoethane
NSC 40641
N-(2-Cyanoethyl)amine

Reactions

β-AMINOPROPIONITRILE and bis-(β-CYANOETHYL)-AMINE (Propionitrile, β-amino-, and propionitrile, β,β'-iminodi-)product

Work with Aminopropionitrile

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Di-β-aminopropionitrile fumarate2079-89-2Salt

Similar compounds

Succinonitrile110-61-253 % similar Adiponitrile111-69-347 % similar Glutaronitrile544-13-847 % similar Nonanedinitrile1675-69-044 % similar Sebaconitrile1871-96-144 % similar Dodecanedinitrile4543-66-244 % similar Aminoacetonitrile540-61-444 % similar Octanedinitrile629-40-344 % similar

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

Same formula

Dimethylcyanamide1467-79-4 2-Diazopropane2684-60-8 (Methylamino)acetonitrile5616-32-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia