Dicyclohexylamine 2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oate

C₂₃H₄₄N₂O₆CAS 560088-79-1444.61 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether Secondary amine

Properties

Molecular formula: C₂₃H₄₄N₂O₆
Molar mass: 444.61 g/mol
Exact mass: 444.3199 Da
logP: 3.87Crippen estimate
Polar surface area: 106.1 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 10

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

560088-79-1

SMILES

CC(C)(C)OC(=O)NCCOCCOCC(=O)O.C1CCC(CC1)NC2CCCCC2

InChIKey

SWUXEYKTUQROOO-UHFFFAOYSA-N

InChI

InChI=1S/C12H23N.C11H21NO6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14/h11-13H,1-10H2;4-8H2,1-3H3,(H,12,15)(H,13,14)

Weigh it out

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

Names and synonyms

1 names

Boc-8-amino-3,6-dioxaoctanoic acid dcha

Work with Dicyclohexylamine 2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oate

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.

3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-108466-89-3Free acid Dicyclohexylamine101-83-7Free base Dicyclohexylammonium nitrite3129-91-7Salt N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-2Salt L-Threonine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16966-07-7Salt L-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16879-90-6Salt

Similar compounds

21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic acid882847-13-463 % similar T-Boc-N-amido-peg1-acid1260092-44-161 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-254 % similar tert-Butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate1404111-67-654 % similar N-Boc-peg6-alcohol331242-61-654 % similar Boc-11-aminoundecanoic acid10436-25-653 % similar 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-453 % similar 2-(2-Boc-aminoethoxy)ethanol139115-91-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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