1-Pyrrolidinebutanenitrile

C₈H₁₄N₂CAS 35543-25-0138.21 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₈H₁₄N₂
Molar mass: 138.21 g/mol
Exact mass: 138.1157 Da
Boiling point: 115 °C (at 18 Torr)
logP: 1.39Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.7% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H332 Harmful if inhaled97.7% of notifiers
H335 May cause respiratory irritation95.3% 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+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

35543-25-0

SMILES

N#CCCCN1CCCC1

InChIKey

OSDDDHPYSNZBPF-UHFFFAOYSA-N

InChI

InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h1-4,6-8H2

Weigh it out

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

Names and synonyms

5 names

1-Pyrrolidinebutyronitrile
4-Pyrrolidinobutyronitrile
4-(1-Pyrrolidinyl)butyronitrile
4-(Pyrrolidin-1-yl)butanenitrile
4-Pyrrolidin-1-ylbutyronitrile

Work with 1-Pyrrolidinebutanenitrile

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

Pyrrolidine-1-propiononitrile26165-45-779 % similar Pyrrolidine-1-acetonitrile29134-29-057 % similar Adiponitrile111-69-356 % similar Glutaronitrile544-13-856 % similar 1-Piperidineacetonitrile3010-03-555 % similar Nonanedinitrile1675-69-053 % similar Sebaconitrile1871-96-153 % similar Dodecanedinitrile4543-66-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Butyl-2-methyl-1H-imidazole13435-22-8 1-Piperidinepropanenitrile3088-41-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook