4-N-Cbz-cyclohexanone

C₁₄H₁₇NO₃CAS 16801-63-1247.29 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₄H₁₇NO₃
Molar mass: 247.29 g/mol
Exact mass: 247.1208 Da
logP: 2.42Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

16801-63-1

SMILES

C1CC(=O)CCC1NC(=O)OCC2=CC=CC=C2

InChIKey

VHXBIBFCJISKFA-UHFFFAOYSA-N

InChI

InChI=1S/C14H17NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)

Weigh it out

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

Names and synonyms

1 names

Benzyl (4-oxocyclohexyl)carbamate

Work with 4-N-Cbz-cyclohexanone

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

Benzyl 3-oxocyclobutylcarbamate130369-36-773 % similar 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-868 % similar N-Cbz-4-hydroxycyclohexane16801-62-068 % similar 3-(Cbz-amino)-azetidine914348-04-266 % similar (S)-3-N-Cbz-aminopyrrolidine176970-12-063 % similar (R)-3-N-Cbz-aminopyrrolidine879275-77-163 % similar 4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid34771-04-563 % similar 3-Cbz-aminopiperidine hcl31648-54-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-6 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-3 N-Ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline16357-59-8 (+)-cis-2-Benzamidocyclohexanecarboxylic acid26685-82-5 (-)-cis-2-Benzamidocyclohexanecarboxylic acid26693-55-0 N-Boc-5-methoxyindole99275-47-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook