1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate

C₁₃H₂₈N₂O₅CAS 101187-40-0292.38 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₃H₂₈N₂O₅
Molar mass: 292.38 g/mol
Exact mass: 292.1998 Da
logP: 0.72Crippen estimate
Polar surface area: 95.5 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 11

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101187-40-0

SMILES

CC(C)(C)OC(O)=NCCOCCOCCOCCN

InChIKey

CUPBLDPRUBNAIE-UHFFFAOYSA-N

InChI

InChI=1S/C13H28N2O5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11,14H2,1-3H3,(H,15,16)

Weigh it out

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

Names and synonyms

3 names

5,8,11-Trioxa-2-azatridecanoic acid, 13-amino-, 1,1-dimethylethyl ester
tert-Butyl (2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)carbamate
tert-Butyl N-(2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl)carbamate

Work with 1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate

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

N-Boc-ethylenediamine57260-73-871 % similar 1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate139115-92-770 % similar tert-Butyl (3-aminopropyl)carbamate75178-96-067 % similar Polyethylene glycol 2-(tert-butoxycarbonylamino)ethyl 2-carboxylethyl ether187848-68-663 % similar 1-(1,1-Dimethylethyl) 5,8,11,14-tetraoxa-2-azaheptadecanedioate756525-91-463 % similar N-(tert-Butoxycarbonyl)-1,5-diaminopentane51644-96-363 % similar N-Boc-1,6-diaminohexane51857-17-163 % similar tert-Butyl (6-aminohexyl)carbamate monohydrochloride65915-94-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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