N-Dodecyl-2-pyrrolidone

C₁₆H₃₁NOCAS 2687-96-9253.43 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₃₁NO
Molar mass: 253.43 g/mol
Exact mass: 253.2406 Da
Melting point: below 4 °C
Boiling point: 202–205 °C
logP: 4.53Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 11

Hazards

Danger

H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-099-00-6), via PubChem.

Precautionary statements

P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

2687-96-9

SMILES

CCCCCCCCCCCCN1CCCC1=O

InChIKey

NJPQAIBZIHNJDO-UHFFFAOYSA-N

InChI

InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2-15H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

2-Pyrrolidinone, 1-dodecyl-
1-Dodecyl-2-pyrrolidinone
N-Dodecyl-2-pyrrolidinone
N-Lauryl-2-pyrrolidinone
1-Dodecyl-2-pyrrolidone
N-Lauryl-2-pyrrolidone
1-Dodecylpyrrolidone
N-Dodecylpyrrolidone
Surfadone LP 300
1-Lauryl-2-pyrrolidone
N-Dodecylpyrrolidinone
AgsolEx 12
Laurylpyrrolidone
Flexidone 300

Work with N-Dodecyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Octylpyrrolidone2687-94-7100 % similar Laurocapram59227-89-392 % similar N-Butyl-2-pyrrolidone3470-98-284 % similar Lauric acid diethanolamide120-40-168 % similar N,N-Diethyldodecanamide3352-87-266 % similar N-Ethyl-2-pyrrolidone2687-91-461 % similar N,N-Dimethyldecanamide14433-76-257 % similar 1-(2-Hydroxyethyl)-2-pyrrolidinone3445-11-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook