4-Aminocyclohexanone hydrochloride

C₆H₁₂ClNOCAS 675112-40-0149.62 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₆H₁₂ClNO
Molar mass: 149.62 g/mol
Exact mass: 149.0607 Da
logP: 0.88Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

675112-40-0

SMILES

C1CC(=O)CCC1N.Cl

InChIKey

NCURSEGKHJAUOX-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NO.ClH/c7-5-1-3-6(8)4-2-5;/h5H,1-4,7H2;1H

Weigh it out

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

Names and synonyms

1 names

4-Aminocyclohexanone hcl

Work with 4-Aminocyclohexanone 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

3-Aminocyclobutan-1-one hydrochloride1035374-20-958 % similar (S)-3-Aminohexanedioic acid hydrochloride61884-74-048 % similar Cyclobutylammonium chloride6291-01-648 % similar trans-4-Amino-cyclohexane carboxylic acid hydrochloride27960-59-447 % similar Cyclohexylamine hydrochloride4998-76-946 % similar 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride116529-31-843 % similar Methyl trans-4-aminocyclohexanecarboxylate hydrochloride61367-07-542 % similar 4-Hydroxycyclohexanone13482-22-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylpiperidin-4-one hydrochloride13729-77-6 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-168960-19-8 Chloro-N,N-diethylacetamide2315-36-8 4-(2-Chloroethyl)morpholine3240-94-6 3-Methylpiperidin-4-one hydrochloride4629-78-1 Azepan-4-one hydrochloride50492-22-3 3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride904316-92-3

Elsewhere

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