4-Benzylaminocyclohexanone

C₁₃H₁₇NOCAS 142009-99-2203.29 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₁₃H₁₇NO
Molar mass: 203.29 g/mol
Exact mass: 203.1310 Da
logP: 2.29Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

142009-99-2

SMILES

C1CC(=O)CCC1NCC2=CC=CC=C2

InChIKey

NMCDGVLRNAILQW-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2

Weigh it out

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

Names and synonyms

1 names

4-(Benzylamino)cyclohexan-1-one

Work with 4-Benzylaminocyclohexanone

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

4-N-Cbz-cyclohexanone16801-63-154 % similar 4-Phenylcyclohexanone4894-75-152 % similar Isopropylbenzylamine102-97-645 % similar Dibenzyl ketone102-04-545 % similar 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione104618-32-845 % similar 1-Phenylhexan-3-one29898-25-744 % similar 1-Benzyl-4-piperidone3612-20-244 % similar 1-Hydroxy-3-phenylpropan-2-one4982-08-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4'-Piperidinoacetophenone10342-85-5 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-9 1-(Phenylmethyl)-4-piperidinecarboxaldehyde22065-85-6 2-Isocyanato-1,3-bis(1-methylethyl)benzene28178-42-9 1-Benzyl-3-methylpiperidin-4-one34737-89-8 N-Phenethyl-4-piperidinone39742-60-4 2,6,7,8-Tetrahydro-1H-indeno[5,4-B]furan-8-ylethylamine448964-37-2 Crotamiton483-63-6

Elsewhere

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