2-[(Dimethylamino)methyl]cyclohexanone hydrochloride

C₉H₁₈ClNOCAS 42036-65-7191.70 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₉H₁₈ClNO
Molar mass: 191.70 g/mol
Exact mass: 191.1077 Da
Melting point: 152 °C
logP: 1.73Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation93.3% of notifiers
H318 Causes serious eye damage91.1% of notifiers
H335 May cause respiratory irritation93.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

42036-65-7

SMILES

CN(C)CC1CCCCC1=O.Cl

InChIKey

CLVHTSWMNNSUSH-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO.ClH/c1-10(2)7-8-5-3-4-6-9(8)11;/h8H,3-7H2,1-2H3;1H

Weigh it out

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

Names and synonyms

7 names

Cyclohexanone, 2-[(dimethylamino)methyl]-, hydrochloride (1:1)
Cyclohexanone, 2-[(dimethylamino)methyl]-, hydrochloride
Dimethyl((2-oxocyclohexyl)methyl)ammonium chloride
NSC 12467
NSC 620461
2-[(Dimethylamino)methyl]cyclohexan-1-one hydrochloride
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride

Work with 2-[(Dimethylamino)methyl]cyclohexanone hydrochloride

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

2-Hexylcyclopentanone13074-65-249 % similar 2-Heptylcyclopentanone137-03-149 % similar 2-Allylcyclohexanone94-66-647 % similar 2-Oxocyclohexanepropanenitrile4594-78-942 % similar 2-tert-Butylcyclohexanone1728-46-742 % similar 2-Methylcyclohexanone583-60-841 % similar 2-Benzylcyclohexanone946-33-840 % similar 1-Methylpiperidine-3-carboxylic acid hydrochloride19999-64-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2,6,6-Tetramethyl-4-piperidone hydrochloride33973-59-0

Elsewhere

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