1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate

C11H23NO5CAS 139115-92-7249.31 g/mol

Open in Covalent MOL file
OONHOOOH
AlcoholEther

Properties

Molecular formula
C11H23NO5
Molar mass
249.31 g/mol
Exact mass
249.1576 Da
logP
0.74Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
139115-92-7
SMILES
CC(C)(C)OC(O)=NCCOCCOCCO
InChIKey
FMLOTGGIHAYZLW-UHFFFAOYSA-N
InChI
InChI=1S/C11H23NO5/c1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13/h13H,4-9H2,1-3H3,(H,12,14)

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Names and synonyms

6 names
  • Carbamic acid, N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-, 1,1-dimethylethyl ester
  • 2-[2-(2-tert-Butyloxycarbonylaminoethoxy)ethoxy]ethanol
  • tert-Butyl [2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
  • [2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]carbamic acid tert-butyl ester
  • tert-Butyl (2-(2-(2-hydroxyethoxy)ethoxy)ethyl)carbamate

Work with 1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate

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

1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate101187-40-070 % similar Polyethylene glycol 2-(tert-butoxycarbonylamino)ethyl 2-carboxylethyl ether187848-68-665 % similar 1-(1,1-Dimethylethyl) 5,8,11,14-tetraoxa-2-azaheptadecanedioate756525-91-465 % similar 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-462 % similar N-Boc-ethylenediamine57260-73-854 % similar tert-Butyl (3-aminopropyl)carbamate75178-96-051 % similar tert-Butyl 3-(2-(2-hydroxyethoxy)ethoxy)propanoate133803-81-350 % similar tert-Butyl 12-hydroxy-4 7 10-trioxa-186020-66-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-Leu-OH monohydrate200936-87-4 Boc-D-leu-oh H2O200937-17-3

Elsewhere

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