chempirical

3-Hydroxy-4-((4-methyl-2-nitrophenyl)azo)-N-(o-tolyl)naphthalene-2-carboxamide

C25H20N4O4CAS 6535-47-3440.46 g/mol

Open in Covalent MOL file
NNHOONHN+OO−
AzoNitroPhenol

Properties

Molecular formula
C25H20N4O4
Molar mass
440.46 g/mol
Exact mass
440.1485 Da
logP
7.12Crippen estimate
Polar surface area
120.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 22 ECHA notifiers. Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
6535-47-3
SMILES
Cc1ccc(N=Nc2c(O)c(C(O)=Nc3ccccc3C)cc3ccccc23)c([N+](=O)[O-])c1
InChIKey
ZULWYEUQOYBFOW-UHFFFAOYSA-N
InChI
InChI=1S/C25H20N4O4/c1-15-11-12-21(22(13-15)29(32)33)27-28-23-18-9-5-4-8-17(18)14-19(24(23)30)25(31)26-20-10-6-3-7-16(20)2/h3-14,30H,1-2H3,(H,26,31)

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Names and synonyms

11 names
  • 3-Hydroxy-4-[2-(4-methyl-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-2-naphthalenecarboxamide
  • 2-Naphthalenecarboxamide, 3-hydroxy-4-[2-(4-methyl-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-
  • 2-Naphthalenecarboxamide, 3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(2-methylphenyl)-
  • 2-Naphtho-o-toluidide, 3-hydroxy-4-(2-nitro-p-tolylazo)-
  • C.I. Pigment red 13
  • C.I. 12395
  • Tioga maroon X-1997
  • Toluidine maroon light
  • C.P. Toluidine maroon MT-2
  • Pigment red 13
  • Toluidine maroon

Work with 3-Hydroxy-4-((4-methyl-2-nitrophenyl)azo)-N-(o-tolyl)naphthalene-2-carboxamide

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

N-(2,4-Dimethylphenyl)-3-hydroxy-4-[2-(2-hydroxyphenyl)diazenyl]-2-naphthalenecarboxamide523-67-168 % similar Pigment red 226448-95-964 % similar Pigment red 1126535-46-261 % similar Toluidine red2425-85-660 % similar Pigment red 236471-49-451 % similar Pigment red 86410-30-648 % similar 4-[2-(2-Chlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthalenecarboxamide6410-26-048 % similar 4-((5-(Anilino)carbonyl-2-methoxyphenyl)azo)-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide6448-96-048 % similar

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

Same formula

Pigment red 126410-32-8

Elsewhere

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