(S)-2-Amino-2-cyclohexyl-ethanol

C₈H₁₇NOCAS 845714-30-9143.23 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₈H₁₇NO
Molar mass: 143.23 g/mol
Exact mass: 143.1310 Da
logP: 0.89Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

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

Identifiers

CAS number

845714-30-9

SMILES

C1CCC(CC1)[C@@H](CO)N

InChIKey

VJJORIDDPKCJTI-MRVPVSSYSA-N

InChI

InChI=1S/C8H17NO/c9-8(6-10)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2/t8-/m1/s1

Weigh it out

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Names and synonyms

1 names

(S)-2-Amino-2-cyclohexylethanol

Work with (S)-2-Amino-2-cyclohexyl-ethanol

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

cis-1,2-Cyclohexanedimethanol15753-50-152 % similar Rel-(1R,2R)-1,2-Cyclohexanedimethanol25712-33-852 % similar Rel-(1R,2R)-1,2-Cyclohexanedimethanol65376-05-852 % similar Rel-(2R,3S)-2-Amino-1,3-octadecanediol3102-56-548 % similar Phytosphingosine554-62-144 % similar Valinol16369-05-444 % similar (+)-Valinol2026-48-444 % similar D-Valinol4276-09-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Piperidinepropanol104-58-5 2-(4-Piperidyl)-2-propanol22990-34-7 Valpromide2430-27-5 2-(Cyclohexylamino)ethanol2842-38-8 4-(Diethylamino)butan-2-one3299-38-5 1-Dimethylamino-2-methylpentan-3-one51690-03-0 N,N-Dimethylhexanamide5830-30-8 4-Piperidinepropanol7037-49-2

Elsewhere

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