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2-Isocyanatoethyl 2,6-diisocyanatocaproate

C11H13N3O5CAS 69878-18-8267.24 g/mol

Open in Covalent MOL file
ONNOOONO
EsterIsocyanate

Properties

Molecular formula
C11H13N3O5
Molar mass
267.24 g/mol
Exact mass
267.0855 Da
logP
0.08Crippen estimate
Polar surface area
114.6 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
10

Identifiers

CAS number
69878-18-8
SMILES
O=C=NCCCCC(N=C=O)C(=O)OCCN=C=O
InChIKey
GNDOBZLRZOCGAS-UHFFFAOYSA-N
InChI
InChI=1S/C11H13N3O5/c15-7-12-4-2-1-3-10(14-9-17)11(18)19-6-5-13-8-16/h10H,1-6H2

Weigh it out

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

Names and synonyms

5 names
  • Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester
  • 2,6-Diisocyanatocaproic acid β-isocyanatoethyl ester
  • (±)-2-Isocyanatoethyl 2,6-diisocyanatohexanoate
  • 2-Isocyanatoethyl 2,6-diisocyanatohexanoate
  • Lysine triisocyanate

Work with 2-Isocyanatoethyl 2,6-diisocyanatocaproate

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

Tetramethylene diisocyanate4538-37-841 % similar 2-Isocyanatoethyl acrylate13641-96-841 % similar Methacryloyloxyethyl isocyanate30674-80-740 % similar Cyclopentyl isocyanate4747-71-134 % similar Octadecyl isocyanate112-96-934 % similar Hexyl isocyanate2525-62-434 % similar Octyl isocyanate3158-26-734 % similar Dodecyl isocyanate4202-38-434 % similar

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

Same formula

γ-Glutamyl-P-nitroanilide7300-59-6

Elsewhere

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