1-Piperidinepropanenitrile

C₈H₁₄N₂CAS 3088-41-3138.21 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
Density: 0.9427 g/mL (at 20 °C)
Melting point: −6.8 °C
Boiling point: 116 °C (at 18 Torr)
logP: 1.39Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

3088-41-3

SMILES

N#CCCN1CCCCC1

InChIKey

YZICFVIUVMCCOC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

1-Piperidinepropionitrile
β-Piperidinopropionitrile
3-Piperidinopropionitrile
3-Piperidinopropanenitrile
3-(1-Piperidinyl)propionitrile
1-(2-Cyanoethyl)piperidine
3-(Piperidin-1-yl)propanenitrile

Work with 1-Piperidinepropanenitrile

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-propiononitrile26165-45-794 % similar 1-Piperidineacetonitrile3010-03-559 % similar 3-(Piperazin-1-yl)propanenitrile34064-86-358 % similar 4-Morpholinepropanenitrile4542-47-658 % similar Pyrrolidine-1-acetonitrile29134-29-055 % similar Nonanedinitrile1675-69-050 % similar Sebaconitrile1871-96-150 % similar Dodecanedinitrile4543-66-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Butyl-2-methyl-1H-imidazole13435-22-8 1-Pyrrolidinebutanenitrile35543-25-0

Elsewhere

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