chempirical

Boc-1-amino-3,6-dioxa-8-octanediamine

C11H24N2O4CAS 153086-78-3248.32 g/mol

Open in Covalent MOL file
OONHOONH2
CarbamateEtherPrimary amine

Properties

Molecular formula
C11H24N2O4
Molar mass
248.32 g/mol
Exact mass
248.1736 Da
logP
0.50Crippen estimate
Polar surface area
82.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
8

Identifiers

CAS number
153086-78-3
SMILES
CC(C)(C)OC(=O)NCCOCCOCCN
InChIKey
OCUICOFGFQENAS-UHFFFAOYSA-N
InChI
InChI=1S/C11H24N2O4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9,12H2,1-3H3,(H,13,14)

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

Work with Boc-1-amino-3,6-dioxa-8-octanediamine

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

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

Elsewhere

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