tert-Butyl 12-amino-4 7 10-trioxa-dodeca

C₁₃H₂₇NO₅CAS 252881-74-6277.36 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₁₃H₂₇NO₅
Molar mass: 277.36 g/mol
Exact mass: 277.1889 Da
logP: 0.73Crippen estimate
Polar surface area: 80.0 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 11

Identifiers

CAS number

252881-74-6

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCN

InChIKey

CWFSAZJIJBTKRC-UHFFFAOYSA-N

InChI

InChI=1S/C13H27NO5/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h4-11,14H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 12-amino-4,7,10-trioxadodecanoate

Work with tert-Butyl 12-amino-4 7 10-trioxa-dodeca

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 3-[2-(2-aminoethoxy)ethoxy]propanoate756525-95-8100 % similar Amino-peg1-T-butyl ester1260092-46-397 % similar tert-Butyl 3-(2-(2-hydroxyethoxy)ethoxy)propanoate133803-81-366 % similar tert-Butyl 12-hydroxy-4 7 10-trioxa-186020-66-666 % similar Tris[[2-(tert-butoxycarbonyl)ethoxy]methyl]methylamine175724-30-861 % similar Boc-1-amino-3,6-dioxa-8-octanediamine153086-78-356 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-254 % similar 1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate101187-40-049 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook