tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate
Properties
- Molecular formula
- C12H23NO3
- Molar mass
- 229.32 g/mol
- Exact mass
- 229.1678 Da
- logP
- 2.06Crippen estimate
- Polar surface area
- 58.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
239074-29-4SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)COInChIKey
SGNKPJPMWHKOJO-UHFFFAOYSA-NInChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h9-10,14H,4-8H2,1-3H3,(H,13,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- rac-tert-Butyl ((1s,4s)-4-(hydroxymethyl)cyclohexyl)carbamate
Work with tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate
Similar compounds
tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-075 % similar
(S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-168 % similar
Boc-trans-4-aminocyclohexanol111300-06-268 % similar
tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-668 % similar
4-N-Boc-amino-cyclohexanol224309-64-268 % similar
Boc-1,4-trans-acha-oh189153-10-468 % similar
Cis tert-Butyl 4-aminocyclohexylcarbamate177906-48-863 % similar
Cis tert-Butyl 4-aminocyclohexylcarbamate247570-24-763 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.