chempirical

Boc-trans-4-aminocyclohexanol

C11H21NO3CAS 111300-06-2215.29 g/mol

Open in Covalent MOL file
OOHNOH
AlcoholCarbamate

Properties

Molecular formula
C11H21NO3
Molar mass
215.29 g/mol
Exact mass
215.1521 Da
logP
1.81Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
111300-06-2
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)O
InChIKey
DQARDWKWPIRJEH-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)

Weigh it out

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

Names and synonyms

1 names
  • cis-4-(tert-Butoxycarbonylamino)cyclohexanol

Work with Boc-trans-4-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.

4-N-Boc-amino-cyclohexanol224309-64-2 tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-6

Similar compounds

rac-tert-Butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate207729-04-282 % similar tert-Butyl (3-hydroxycyclobutyl)carbamate389890-43-174 % similar tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-468 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate177906-48-867 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate247570-24-767 % similar exo-3-Boc-aminotropane132234-68-564 % similar tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-464 % similar rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-663 % similar

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

Same formula

1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-3 N-Boc-piperidine-3-methanol116574-71-1 N-Boc-4-piperidinemethanol123855-51-6 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-0 tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-7 tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-8 N-Boc-piperidine-2-methanol157634-00-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook