Caprolactam

C₆H₁₁NOCAS 105-60-2113.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₁NO
Molar mass: 113.16 g/mol
Exact mass: 113.0841 Da
Density: 1.02 g/mL
Melting point: 69.3 °C
Boiling point: 270 °C
Water solubility: 530 g/L
logP: 1.52Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H319 Causes serious eye irritationSerious eye damage/eye irritation
H332 Harmful if inhaledAcute toxicity, inhalation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation

Harmonised EU classification (CLP Annex VI, index 613-069-00-2), via PubChem.

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

105-60-2

SMILES

OC1=NCCCCC1

InChIKey

JBKVHLHDHHXQEQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)

Weigh it out

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

Names and synonyms

27 names · show all

2H-Azepin-2-one, hexahydro-
Hexahydro-2H-azepin-2-one
Aminocaproic lactam
ε-Caprolactam
2-Ketohexamethylenimine
2-Oxohexamethylenimine
Hexanoic acid, 6-amino-, cyclic lactam
Hexahydro-2-azepinone
2-Azacycloheptanone
6-Caprolactam
6-Hexanelactam
2-Perhydroazepinone
ω-Caprolactam
1-Aza-2-cycloheptanone
Hexanolactam
Azepan-2-one
Hexano-6-lactam
NSC 117393
NSC 25536
NSC 4977
Hexahydro-1H-azepin-2-one
AP
AP (lactam)
A 19374
2-Oxoazepane
6-Aminohexanoic acid lactam
AP-Nylon

Reactions

2-KETOHEXAMETHYLENIMINE (Hexamethylenimine, 2-oxo-)product

Work with Caprolactam

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

Enantholactam673-66-5100 % similar Octahydro-2H-azonin-2-one935-30-8100 % similar Laurolactam947-04-6100 % similar 2-Piperidinone675-20-794 % similar 2-Pyrrolidone616-45-579 % similar Adelmidrol1675-66-770 % similar Ethylene bis(stearamide)110-30-564 % similar 2-Azetidinone930-21-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexanone oxime100-64-1 (1S,4R)-4-Amino-2-cyclopentene-1-methanol136522-35-5 1-Methyl-4-piperidone1445-73-4 2,2-Dimethylcyclopropanecarboxamide1759-55-3 2,4,4-Trimethyl-2-oxazoline1772-43-6 N-Isopropylacrylamide2210-25-5 2,4,5-Trimethyl-3-oxazoline22694-96-8 N-Formylpiperidine2591-86-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia