(1R,2R)-2-Aminocyclohexanol

C₆H₁₃NOCAS 931-16-8115.18 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₆H₁₃NO
Molar mass: 115.18 g/mol
Exact mass: 115.0997 Da
logP: 0.25Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage99.1% of notifiers

Aggregated from 106 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

931-16-8

SMILES

N[C@@H]1CCCC[C@H]1O

InChIKey

PQMCFTMVQORYJC-PHDIDXHHSA-N

InChI

InChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6-/m1/s1

Weigh it out

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

Names and synonyms

6 names

Cyclohexanol, 2-amino-, (1R,2R)-
Cyclohexanol, 2-amino-, (1R-trans)-
(1R,2R)-2-Amino-1-cyclohexanol
(1R,2R)-trans-2-Aminocyclohexanol
[(1R,2R)-2-Hydroxycyclohexyl]amine
(1R,2R)-2-Aminocyclohexan-1-ol

Work with (1R,2R)-2-Aminocyclohexanol

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.

2-Aminocyclohexanol6850-38-0Stereo not defined trans-2-Aminocyclohexanol hydrochloride5456-63-3Salt cis-2-Aminocyclohexanol hydrochloride6936-47-6Salt, diastereomer

Similar compounds

2-Amino cyclopentanol89381-13-589 % similar (1R,2S)-2-Aminocyclopentanol hydrochloride137254-03-676 % similar cis-(1S,2R)-2-Aminocyclopentanol hydrochloride225791-13-976 % similar trans-(1R,2R)-2-Aminocyclopentanol hydrochloride31775-67-476 % similar (1S,2S)-trans-2-Aminocyclopentanol hydrochloride68327-04-876 % similar trans-2-Aminocyclopentanol hydrochloride68327-11-776 % similar trans-1,2-Diaminocyclohexane1121-22-856 % similar cis-1,2-Cyclohexanediamine1436-59-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylmorpholine100-74-3 [1-Aminocyclopentyl]methanol10316-79-7 4-Hydroxy-1-methylpiperidine106-52-5 4-Aminomethyltetrahydropyran130290-79-8 1-Propylazetidin-3-ol1340301-52-1 2,6-Dimethylmorpholine141-91-3 (3S)-Piperidin-3-ylmethanol144539-77-5 2,6-Dimethylmorpholine, (2R,6R)-171753-74-5

Elsewhere

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