3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-

C₁₁H₂₁NO₆CAS 108466-89-3263.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₂₁NO₆
Molar mass: 263.29 g/mol
Exact mass: 263.1369 Da
logP: 0.63Crippen estimate
Polar surface area: 94.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

108466-89-3

SMILES

CC(C)(C)OC(=O)NCCOCCOCC(=O)O

InChIKey

OMBVJVWVXRNDSL-UHFFFAOYSA-N

InChI

InChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)

Weigh it out

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

Work with 3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-

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.

Dicyclohexylamine 2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oate560088-79-1Salt

Similar compounds

21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic acid882847-13-479 % similar T-Boc-N-amido-peg1-acid1260092-44-177 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-268 % similar tert-Butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate1404111-67-668 % similar N-Boc-peg6-alcohol331242-61-668 % similar 2-(2-Boc-aminoethoxy)ethanol139115-91-665 % similar Boc-1-amino-3,6-dioxa-8-octanediamine153086-78-363 % similar Boc-NH-PEG4-amine811442-84-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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