Laurocapram

C₁₈H₃₅NOCAS 59227-89-3281.48 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₃₅NO
Molar mass: 281.48 g/mol
Exact mass: 281.2719 Da
Density: 0.91 g/mL
Melting point: −7 °C
Boiling point: 195–200 °C (at 3 Torr)
logP: 5.31Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 11

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H413 May cause long lasting harmful effects to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, 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

59227-89-3

SMILES

CCCCCCCCCCCCN1CCCCCC1=O

InChIKey

AXTGDCSMTYGJND-UHFFFAOYSA-N

InChI

InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3

Weigh it out

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

Names and synonyms

7 names

2H-Azepin-2-one, 1-dodecylhexahydro-
1-Dodecylhexahydro-2H-azepin-2-one
1-Dodecylazacycloheptan-2-one
Azone
N-Dodecylcaprolactam
Azon
1-Dodecylazepan-2-one

Work with Laurocapram

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-Octylpyrrolidone2687-94-792 % similar N-Dodecyl-2-pyrrolidone2687-96-992 % similar N-Butyl-2-pyrrolidone3470-98-277 % similar Lauric acid diethanolamide120-40-173 % similar N,N-Diethyldodecanamide3352-87-271 % similar N,N-Dimethyldecanamide14433-76-262 % similar N,N-Dimethylhexanamide5830-30-859 % similar N-Ethyl-2-pyrrolidone2687-91-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Oleamide301-02-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook