trans-4-Aminocyclohexanol hydrochloride

C6H14ClNOCAS 50910-54-8151.63 g/mol

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HClH2NOH
AlcoholPrimary amine

Properties

Molecular formula
C6H14ClNO
Molar mass
151.63 g/mol
Exact mass
151.0764 Da
logP
0.67Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
r, rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
50910-54-8
SMILES
Cl.N[C@H]1CC[C@H](O)CC1
InChIKey
RKTQEVMZBCBOSB-KYOXOEKENA-N
InChI
InChI=1/C6H13NO.ClH/c7-5-1-3-6(8)4-2-5;/h5-6,8H,1-4,7H2;1H/t5-,6-;

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Names and synonyms

6 names
  • Cyclohexanol, 4-amino-, hydrochloride (1:1), trans-
  • Cyclohexanol, 4-amino-, hydrochloride, trans-
  • trans-4-Hydroxycyclohexylamine hydrochloride
  • trans-4-Amino-1-cyclohexanol hydrochloride
  • trans-4-Aminocyclohexanol monohydrochloride
  • trans-1-Amino-4-hydroxycyclohexane hydrochloride

Work with trans-4-Aminocyclohexanol 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Aminocyclohexanol6850-65-3Free base, stereo not defined trans-4-Aminocyclohexanol27489-62-9Free base

Similar compounds

(1R,3S)-3-Aminocyclopentanol hydrochloride1279032-31-373 % similar 3-Aminocyclobutanol hydrochloride1036260-25-962 % similar Cyclobutylammonium chloride6291-01-652 % similar Cyclopropanol16545-68-950 % similar trans-1,4-Diaminocyclohexane2615-25-050 % similar 1,4-Diaminocyclohexane3114-70-350 % similar trans-4-Methylcyclohexylamine hydrochloride33483-65-750 % similar Cyclohexylamine hydrochloride4998-76-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Cyclohexylhydroxylamine hydrochloride25100-12-3 Glycidyltrimethylammonium chloride3033-77-0 4-Methoxypiperidine hydrochloride4045-25-4 trans-2-Aminocyclohexanol hydrochloride5456-63-3 4-Methylpiperidin-4-ol hydrochloride586375-35-1 cis-2-Aminocyclohexanol hydrochloride6936-47-6

Elsewhere

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