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2,7-Naphthalenedisulfonic Acid, 4-Amino-6-[2-[4-[[[4-[2-(2,4-Diaminophenyl)Diazenyl]Phenyl]Amino]Sulfonyl]Phenyl]Diazenyl]-5-Hydroxy-3-[2-(4-Nitrophenyl)Diazenyl]-, Potassium Salt (1:2)
CAS: 99576-15-5 | C34H27K2N11O11S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99576-15-5
Molecular Formula:
C34H27K2N11O11S3
Molecular Weight:
940.0529999999998 g/mol
Names and Synonyms:
2,7-Naphthalenedisulfonic Acid, 4-Amino-6-[2-[4-[[[4-[2-(2,4-Diaminophenyl)Diazenyl]Phenyl]Amino]Sulfonyl]Phenyl]Diazenyl]-5-Hydroxy-3-[2-(4-Nitrophenyl)Diazenyl]-, Potassium Salt (1:2)
Baygenal Black TDE
Durapel Black NT
Lederos Black
Everlan Black GS
Korostan Black BN
Apollo Leather Black NT
Dynacid Black 2AO
Airedale Black FGL
Vilmacor Black NT
Daedo Acid Black NT
Everlan Black NG
Ritaleather Black RNT
Chemiderm Black TS
Covalene Black NR
Covasol Black NR
Basacid Black X32
Dycosacid Black NG
Vilmacor Black LT
Acid Black AB
Colocid Black NT
Acid Black NTR
Triacor Black TNL
Indacid Black NT
Everlan Black RS
Dermacid Black NG
Ratna Acid Black NB
Everlan Black FG
Derma Carbon AF
Acid Black 6-GNR
Formo Leather Black Supra
Sandal Acid Black NT
Airedale Black FGT
Setaderm Black NT
Basacid Black X 32 Liquid
Vicoacid Black J
Pacid Black 210
Victalan Black J
Ambicid Black G
Kemacid Black N.SPH
Everlan Black NGS
Acid Black SF
Coriamine Black 3G
Acid Black BRL
Derma Carbon AF 135
Coriamine Black E 3G
Acidal-Black CCX
Lederos 210
Luganil Black NT
C.I. 300285
Coriamine Black NT
Acid Black 210
Luganil Black TS
C.I. Acid Black 210
2,7-Naphthalenedisulfonic acid, 4-amino-6-[[4-[[[4-[(2,4-diaminophenyl)azo]phenyl]amino]sulfonyl]phenyl]azo]-5-hydroxy-3-[(4-nitrophenyl)azo]-, dipotassium salt
2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]amino]sulfonyl]phenyl]diazenyl]-5-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-, potassium salt (1:2)
Acid Black NT
Identifiers:
SMILES:
Nc1ccc(N=Nc2ccc(NS(=O)(=O)c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccc([N+](=O)[O-])cc6)c(N)c5c4O)cc3)cc2)c(N)c1.[K].[K]
InChI:
InChI=1S/C34H27N11O11S3.2K/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-57(49,50)25-12-8-22(9-13-25)40-43-33-29(59(54,55)56)16-18-15-28(58(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 940.05 g/mol | Legacy Database |
cas-canonical-smile | [K].O=N(=O)C1=CC=C(N=NC=2C(N)=C3C(O)=C(N=NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=C(N=NC6=CC=C(N)C=C6N)C=C5)C(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)C=C1 None | Legacy Database |
cas-inchi | InChI=1S/C34H27N11O11S3.2K/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-57(49,50)25-12-8-22(9-13-25)40-43-33-29(59(54,55)56)16-18-15-28(58(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);; None | Legacy Database |
cas-inchi-key | InChIKey=SMNOXXBSDFICFT-UHFFFAOYSA-N None | Legacy Database |
cas-name | 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]amino]sulfonyl]phenyl]diazenyl]-5-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-, potassium salt (1:2) None | Legacy Database |
LogP | 6.979000000000005 | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 225.74609999999987 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 940.0529999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 939.0327770439998 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 61 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 18 count | RDKit |
Hydrogen Bond Donors | 7 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 12 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 6 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 370.49999999999994 Ų | RDKit |