chempirical

Diaminogene velour black B

C32H21N6Na3O11S3CAS 2429-73-4830.70 g/mol

Open in Covalent MOL file
NH2SO−OONNNNOHNH2SO−OOSO−OOOHNa+Na+Na+
AzoPhenolPrimary amineSulfonic acid

Properties

Molecular formula
C32H21N6Na3O11S3
Molar mass
830.70 g/mol
Exact mass
830.0124 Da
logP
5.66Crippen estimate
Polar surface area
305.1 Ų
H-bond donors / acceptors
7 / 14
Rotatable bonds
8

Identifiers

CAS number
2429-73-4
SMILES
Nc1ccc2cc(S([O-])(=O)=O)c(N=Nc3ccc(-c4ccc(N=Nc5c(O)c6c(N)cc(S([O-])(=O)=O)cc6cc5S([O-])(=O)=O)cc4)cc3)c(O)c2c1.[Na+].[Na+].[Na+]
InChIKey
ISKHIWSUDPZKOU-UHFFFAOYSA-N
InChI
InChI=1S/C32H24N6O11S3.3Na/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40;;;/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;

Weigh it out

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

Names and synonyms

84 names · show all
  • 2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4′-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:3)
  • Brasilazol black BH
  • Blue BH
  • C.I. Direct Blue 2, trisodium salt
  • Direct diazo black S
  • C.I. Direct blue 2
  • 2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4′-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo][1,1′-biphenyl]-4-yl]azo]-4-hydroxy-, trisodium salt
  • C.I. 22590
  • Airedale black BHD
  • Aizen direct black BH
  • Altazine black BH
  • Amanil developed black BHSW
  • Atul developed black BT
  • Azine diazo black BHK
  • Azocard blue BH
  • Azomine black BH
  • Belamine diazo black BH
  • Bencidal navy blue BH
  • Benzanil black BH
  • Benzo black blue BH
  • Benzo black blue FBH
  • Calcoloid diazo black BHL
  • Calcomine diazo black BHD
  • Calcomine diazo black BTCW
  • Chloramine black BH
  • Chlorazol black BH
  • Chlorazol leather black BH
  • Chrome leather black BH
  • Chrome leather black CR
  • Chrome leather black DS
  • Chrome leather dark blue BHM
  • Cutamin dark blue CB
  • Diacotton black BH
  • Diamine black BH
  • Diamine black BHM
  • Dianil dark blue H
  • Diaphtamine black BH
  • Diazine black H
  • Diazine black BHC
  • Diazine black HDW
  • Diazine black HNJ
  • Diazo black BH
  • Diazo black BHN-CF
  • Diazo black BHSW
  • Diazo black BHSWK
  • Diazo black CR
  • Diazo direct black N
  • Diazo fast black BH
  • Diazo fast black MBH
  • Diazol black BH
  • Diazo navy blue BH
  • Diazophenyl black BH
  • Diphenyl blue black GHS
  • Diphenyl blue black MBH
  • Direct black BH
  • Direct blue black BH
  • Direct dark blue BH
  • Direct diazo black
  • Direct navy blue BH
  • Eniazol blue black BHN
  • Fenamin navy blue H
  • Direct diazo black C
  • Direct diazo black N
  • Fixanol blue BH
  • Indoxine KL
  • Japanol black BHK
  • Kayaku direct black BH
  • Melantherine BH
  • Melantherine BHX
  • Mitsui direct black BH
  • Navy blue EMBL
  • Neklamin black BH
  • Paramine black BH
  • Phenazo black BH
  • Pheno navy blue
  • Pontamine deep blue BH
  • Pontamine diazo black BHSW
  • Symulon direct black BH
  • Tertrodirect black BH
  • Tertrodirect black BHS
  • Union fast navy blue DS
  • Vondacel dark blue BH
  • Zambesi dark blue BH
  • Orbamin black BH

Work with Diaminogene velour black B

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

Direct blue 62602-46-283 % similar Direct black 381937-37-763 % similar Trypan blue72-57-163 % similar Direct black 196428-31-561 % similar Direct blue 152429-74-561 % similar C.I. Direct black 172945-96-261 % similar Direct black 226473-13-858 % similar C.I. Acid black 234157577-99-654 % similar

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

Elsewhere

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