2,6-Bis(4′-azidobenzylidene)-4-methylcyclohexanone

C₂₁H₁₈N₆OCAS 5284-79-7370.42 g/mol

Open in Covalent MOL file

Alkene Azide Ketone

Properties

Molecular formula: C₂₁H₁₈N₆O
Molar mass: 370.42 g/mol
Exact mass: 370.1542 Da
Melting point: 121 °C
logP: 7.04Crippen estimate
Polar surface area: 114.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

5284-79-7

SMILES

CC1CC(=Cc2ccc(N=[N+]=[N-])cc2)C(=O)C(=Cc2ccc(N=[N+]=[N-])cc2)C1

InChIKey

MLIWQXBKMZNZNF-UHFFFAOYSA-N

InChI

InChI=1S/C21H18N6O/c1-14-10-17(12-15-2-6-19(7-3-15)24-26-22)21(28)18(11-14)13-16-4-8-20(9-5-16)25-27-23/h2-9,12-14H,10-11H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl-
Cyclohexanone, 2,6-bis(p-azidobenzylidene)-4-methyl-
2,6-Bis[(4-azidophenyl)methylene]-4-methylcyclohexanone
1,3-Bis(p-azidobenzylidene)-5-methylcyclohexan-2-one
2,6-Bis(4-azidobenzylidene)-4-methylcyclohexanone
2,6-Bis(4′-azidobenzal)-4-methylcyclohexanone
2,6-Bis(p-azidobenzylidene)-4-methylcyclohexanone
2,6-Bis(4-azidobenzal)-4-methylcyclohexanone
2,6-Bis(p-azidobenzal)-4-methylcyclohexanone
2,6-Di(4-azidobenzylidene)-4-methylcyclohexanone
4-Methyl-2,6-bis(4′-azidobenzylidene)cyclohexan-1-one
A 016
BAC-M (light absorber)
2,6-Bis(4-azidobenzylidene)-4-methylcyclohexan-1-one

Work with 2,6-Bis(4′-azidobenzylidene)-4-methylcyclohexanone

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

4-Azidobenzoic acid6427-66-338 % similar P-Azido-L-phenylalanine33173-53-437 % similar 2,6-Dibenzylidenecyclohexanone897-78-934 % similar

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

Elsewhere

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