trans-2-Aminocyclohexanol hydrochloride

C6H14ClNOCAS 5456-63-3151.63 g/mol

Open in Covalent MOL file
NH2OHHCl
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

Warning
Irritant (GHS07)

Aggregated from 143 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
5456-63-3
SMILES
C1CC[C@H]([C@@H](C1)N)O.Cl
InChIKey
LKKCSUHCVGCGFA-KGZKBUQUSA-N
InChI
InChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6-;/m1./s1

Weigh it out

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

Work with trans-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 2-Aminocyclohexanol6850-38-0Free base, stereo not defined cis-2-Aminocyclohexanol hydrochloride6936-47-6Diastereomer

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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