chempirical

Disperse blue 35

C20H14N2O5CAS 12222-75-2362.34 g/mol

Open in Covalent MOL file
H2NOONH2HOOHHO
KetonePhenolPrimary amine

Properties

Molecular formula
C20H14N2O5
Molar mass
362.34 g/mol
Exact mass
362.0903 Da
logP
2.41Crippen estimate
Polar surface area
146.9 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
1

Identifiers

CAS number
12222-75-2
SMILES
C1=CC(=CC=C1C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O)O
InChIKey
OXLITIGRBOEDEZ-UHFFFAOYSA-N
InChI
InChI=1S/C20H14N2O5/c21-11-5-6-12(24)15-14(11)19(26)16-13(25)7-10(18(22)17(16)20(15)27)8-1-3-9(23)4-2-8/h1-7,23-25H,21-22H2

Weigh it out

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

Names and synonyms

6 names
  • C.I. Disperse blue 35
  • Serilene dark blue R
  • Samaron blue TR
  • Dispersol navy B-T
  • Navilene navy BT
  • Akasperse navy blue T 200

Work with Disperse blue 35

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

1,5-Diaminochloro-4,8-dihydroxy-9,10-anthracenedione12217-79-762 % similar 1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione145-49-360 % similar 1-Amino-4-hydroxyanthraquinone116-85-850 % similar 4,8-Dihydroxy-1,5-diaminoanthraquinone-3-sulfonic acid2150-60-944 % similar Disperse blue 12475-45-843 % similar 1,4,5,8-Tetrahydroxy-9,10-anthracenedione81-60-743 % similar 1-Amino-2-bromo-4-hydroxy-9,10-anthracenedione116-82-540 % similar Disperse red 6017418-58-537 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook