cis-2-Aminocyclohexanol hydrochloride

C₆H₁₄ClNOCAS 6936-47-6151.63 g/mol

Open in Covalent MOL file

Alcohol Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364

Identifiers

CAS number

6936-47-6

SMILES

C1CC[C@H]([C@H](C1)N)O.Cl

InChIKey

LKKCSUHCVGCGFA-RIHPBJNCSA-N

InChI

InChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m0./s1

Weigh it out

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

Names and synonyms

1 names

(1R,2S)-2-Aminocyclohexan-1-ol hydrochloride

Work with cis-2-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.

(1R,2R)-2-Aminocyclohexanol931-16-8Free base, diastereomer 2-Aminocyclohexanol6850-38-0Free base, stereo not defined trans-2-Aminocyclohexanol hydrochloride5456-63-3Diastereomer

Similar compounds

(1R,2S)-2-Aminocyclopentanol hydrochloride137254-03-690 % similar cis-(1S,2R)-2-Aminocyclopentanol hydrochloride225791-13-990 % similar trans-(1R,2R)-2-Aminocyclopentanol hydrochloride31775-67-490 % similar (1S,2S)-trans-2-Aminocyclopentanol hydrochloride68327-04-890 % similar trans-2-Aminocyclopentanol hydrochloride68327-11-790 % similar 2-Amino cyclopentanol89381-13-576 % similar trans-1,2-Diaminocyclohexane1121-22-848 % similar cis-1,2-Cyclohexanediamine1436-59-548 % 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-4-Aminocyclohexanol hydrochloride50910-54-8 4-Methylpiperidin-4-ol hydrochloride586375-35-1

Elsewhere

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