chempirical

CDA 6

C26H34N4O6CAS 63245-38-5498.58 g/mol

Open in Covalent MOL file
OOHNNHOHOHNNHOOH
Phenol

Properties

Molecular formula
C26H34N4O6
Molar mass
498.58 g/mol
Exact mass
498.2478 Da
Melting point
212 °C
logP
6.05Crippen estimate
Polar surface area
170.8 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
15

Hazards

Warning
Irritant (GHS07)

Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
63245-38-5
SMILES
OC(CCCCCCCCCCC(O)=NN=C(O)c1ccccc1O)=NN=C(O)c1ccccc1O
InChIKey
KKZSDWROKQKKPM-UHFFFAOYSA-N
InChI
InChI=1S/C26H34N4O6/c31-21-15-11-9-13-19(21)25(35)29-27-23(33)17-7-5-3-1-2-4-6-8-18-24(34)28-30-26(36)20-14-10-12-16-22(20)32/h9-16,31-32H,1-8,17-18H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)

Weigh it out

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Names and synonyms

9 names
  • Dodecanedioic acid, 1,12-bis[2-(2-hydroxybenzoyl)hydrazide]
  • Dodecanedioic acid, bis[2-(2-hydroxybenzoyl)hydrazide]
  • Decamethylenedicarboxylic acid disalicyloylhydrazide
  • Mark CDA 6
  • Disalicyloylhydrazide decamethylenedicarboxylate
  • ADK Stab CDA 6
  • Adeka CDA 6
  • Decanedicarboxylic acid disalicyloylhydrazine
  • Dodecanedioic acid bis[N2-(2-hydroxybenzoyl)hydrazide]

Work with CDA 6

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

Salicylhydroxamic acid89-73-651 % similar Salicylaldehyde salicyloylhydrazone3232-36-850 % similar Salicylanilide87-17-250 % similar o-Hydroxylbenzhydrazide936-02-750 % similar Salicyluric acid487-54-747 % similar Vorinostat149647-78-940 % similar Salicylamide65-45-238 % similar Salicylic acid69-72-738 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook