chempirical

tert-Butyl 4-hydroxyazepane-1-carboxylate

C11H21NO3CAS 478832-21-2215.29 g/mol

Open in Covalent MOL file
OONOH
AlcoholCarbamate

Properties

Molecular formula
C11H21NO3
Molar mass
215.29 g/mol
Exact mass
215.1521 Da
logP
1.77Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

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
478832-21-2
SMILES
CC(C)(C)OC(=O)N1CCCC(CC1)O
InChIKey
CRFSWDBNKHNGGA-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3

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Names and synonyms

1 names
  • 4-Hydroxyazepane-1-carboxylic acid tert-butyl ester

Work with tert-Butyl 4-hydroxyazepane-1-carboxylate

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

4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-288 % similar (R)-1-Boc-3-hydroxypiperidine143900-43-078 % similar (S)-1-Boc-3-hydroxypiperidine143900-44-178 % similar 1-Boc-3-hydroxypiperidine85275-45-278 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-573 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-973 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-073 % similar 1-Boc-hexahydro-1H-azepin-4-amine196613-57-765 % 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 Boc-trans-4-aminocyclohexanol111300-06-2 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

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