N-Butyl-2-pyrrolidone

C₈H₁₅NOCAS 3470-98-2141.21 g/mol

Open in Covalent MOL file

Amide Lactam

Properties

Molecular formula: C₈H₁₅NO
Molar mass: 141.21 g/mol
Exact mass: 141.1154 Da
Density: 0.964 g/mL (at 20 °C)
Boiling point: 121 °C (at 16 Torr)
logP: 1.41Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed85.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation14.8% of notifiers

Aggregated from 277 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3470-98-2

SMILES

CCCCN1CCCC1=O

InChIKey

BNXZHVUCNYMNOS-UHFFFAOYSA-N

InChI

InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3

Weigh it out

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

Names and synonyms

8 names

2-Pyrrolidinone, 1-butyl-
1-Butyl-2-pyrrolidinone
N-Butylpyrrolidinone
N-Butyl-2-pyrrolidinone
N-Butylpyrrolidone
1-Butyl-2-pyrrolidone
N-Butylbutyrolactam
Genagen NBP

Work with N-Butyl-2-pyrrolidone

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

N-Octylpyrrolidone2687-94-784 % similar N-Dodecyl-2-pyrrolidone2687-96-984 % similar Laurocapram59227-89-377 % similar N-Ethyl-2-pyrrolidone2687-91-465 % similar Lauric acid diethanolamide120-40-161 % similar N,N-Diethyldodecanamide3352-87-259 % similar Tetrabutylurea4559-86-858 % similar 1-(2-Hydroxyethyl)-2-pyrrolidinone3445-11-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tropine120-29-6 Pseudotropine135-97-7 1-Propyl-4-piperidone23133-37-1 5-Dimethylamino-2-methyl-3-pentyn-2-ol25400-83-3 N-Heptyl isocyanate4747-81-3 1-(Isopropyl)-4-piperidone5355-68-0 4-(2-Methylpropyl)pyrrolidin-2-one61312-87-6 N-(1,1-Dimethylethyl)-2-methyl-2-propenamide6554-73-0

Elsewhere

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