chempirical

1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate

C16H14N2O4CAS 2449-05-0298.30 g/mol

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Properties

Molecular formula
C16H14N2O4
Molar mass
298.30 g/mol
Exact mass
298.0954 Da
Melting point
46.5–47 °C
logP
4.11Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
2449-05-0
SMILES
O=C(N=NC(=O)OCc1ccccc1)OCc1ccccc1
InChIKey
IRJKSAIGIYODAN-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2

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Names and synonyms

6 names
  • 1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester
  • Formic acid, azodi-, dibenzyl ester
  • Diazenedicarboxylic acid, bis(phenylmethyl) ester
  • Dibenzyl azodicarboxylate
  • NSC 620564
  • Azodicarboxylic acid dibenzyl ester

Work with 1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate

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

Bis(phenylmethyl) carbonate3459-92-561 % similar Dibenzyl oxalate7579-36-461 % similar Dibenzyl succinate103-43-557 % similar Dibenzyl malonate15014-25-257 % similar Benzyl phenylacetate102-16-955 % similar Benzyl acetate140-11-455 % similar Benzyl phthalate523-31-955 % similar Benzyl propionate122-63-452 % similar

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

Same formula

Amlexanox68302-57-8

Elsewhere

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