Pyrrolidine-1-acetonitrile

C₆H₁₀N₂CAS 29134-29-0110.16 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₆H₁₀N₂
Molar mass: 110.16 g/mol
Exact mass: 110.0844 Da
Boiling point: 86 °C (at 22 Torr)
logP: 0.61Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed88.4% of notifiers
H302 Harmful if swallowed11.6% of notifiers
H312 Harmful in contact with skin11.6% of notifiers
H315 Causes skin irritation11.6% of notifiers
H319 Causes serious eye irritation11.6% of notifiers
H332 Harmful if inhaled11.6% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

29134-29-0

SMILES

N#CCN1CCCC1

InChIKey

NPRYXVXVLCYBNS-UHFFFAOYSA-N

InChI

InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-6H2

Weigh it out

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

Names and synonyms

9 names

1-Pyrrolidineacetonitrile
N-Pyrrolidinoacetonitrile
Pyrrolidinoacetonitrile
1-Cyanomethylpyrrolidine
Pyrrolidin-1-ylacetonitrile
NSC 26714
N-Cyanomethylpyrrolidine
2-Pyrrolidin-1-ylacetonitrile
2-(Pyrrolidin-1-yl)acetonitrile

Work with Pyrrolidine-1-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 Isotope patternExact mass and the mass spectrum pattern

Same formula

1,3,5-Trimethylpyrazole1072-91-9 1-Isopropyl-1H-pyrazole18952-87-9 N-Ethyl-2-methylimidazole21202-52-8 1-Propylimidazole35203-44-2 2-Isopropylimidazole36947-68-9 4-Cyanopiperidine4395-98-6 1-(1-Methylethyl)-1H-imidazole4532-96-1 2-Ethyl-4-methylimidazole46227-74-1

Elsewhere

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