chempirical

2-[(Dimethylamino)methyl]cyclohexanone hydrochloride

C9H18ClNOCAS 42036-65-7191.70 g/mol

Open in Covalent MOL file
NOHCl
KetoneTertiary 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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

6 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

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-Oxocyclohexanepropanenitrile4594-78-942 % similar 2-tert-Butylcyclohexanone1728-46-742 % similar 2-Methylcyclohexanone583-60-841 % similar 2-Benzylcyclohexanone946-33-840 % similar 2-Acetylcyclohexanone874-23-738 % similar 2-Bromocyclohexanone822-85-537 % 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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