chempirical

Pigment yellow 65

C18H18N4O6CAS 6528-34-3386.36 g/mol

Open in Covalent MOL file
ONNOOHNON+OO−
AzoEtherKetoneNitro

Properties

Molecular formula
C18H18N4O6
Molar mass
386.36 g/mol
Exact mass
386.1226 Da
logP
3.94Crippen estimate
Polar surface area
136.0 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
8

Hazards

Environmental Hazard (GHS09)

Aggregated from 423 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
6528-34-3
SMILES
COc1ccc(N=NC(C(C)=O)C(O)=Nc2ccccc2OC)c([N+](=O)[O-])c1
InChIKey
UFORAEIAYCSGCR-UHFFFAOYSA-N
InChI
InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24)

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Names and synonyms

14 names · show all
  • Butanamide, 2-[2-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxo-
  • Butanamide, 2-[(4-methoxy-2-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxo-
  • 2-[2-(4-Methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
  • C.I. Pigment yellow 65
  • C.I. 11740
  • Hansa yellow 3RN
  • Hansa yellow RN
  • Permansa yellow lightfast medium RA 12187
  • Acetanil yellow RTCA
  • Dalamar yellow YT-820-D
  • Dalamar yellow YT 820D
  • Sunbrite yellow 65
  • Permanent yellow RN
  • 2-[2-(4-Methoxy-2-nitrophenyl)diazen-1-yl]-N-(2-methoxyphenyl)-3-oxobutanamide

Work with Pigment yellow 65

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

Pigment yellow 36486-23-363 % similar Pigment yellow 174531-49-161 % similar Light yellow2512-29-060 % similar N-(4-Methoxy-2-nitrophenyl)acetamide119-81-351 % similar Pigment yellow 835567-15-748 % similar C.I. Pigment orange12236-62-346 % similar Pigment yellow 145468-75-744 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-443 % similar

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

Same formula

Pigment yellow 746358-31-2

Elsewhere

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