Home Other Building Blocks Direct Black 38

Direct Black 38

CAS No.:
1937-37-7
Catalog Number:
AG0039UV
Molecular Formula:
C34H25N9Na2O7S2
Molecular Weight:
781.7279
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
In Stock USA
United States
$47
- +
25g
In Stock USA
United States
$82
- +
100g
In Stock USA
United States
$199
- +
Product Description
Catalog Number:
AG0039UV
Chemical Name:
Direct Black 38
CAS Number:
1937-37-7
Molecular Formula:
C34H25N9Na2O7S2
Molecular Weight:
781.7279
MDL Number:
MFCD00066363
IUPAC Name:
disodium;4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate
InChI:
InChI=1S/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
InChI Key:
XRPLBRIHZGVJIC-UHFFFAOYSA-L
SMILES:
Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
217-710-3
UNII:
C7SV16SLWM
Properties
Complexity:
1460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
781.111g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
781.73g/mol
Monoisotopic Mass:
781.111g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
304A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Induction of hepatoma in mice by direct deep Black-Extra (DDB-EX) and occurrence of serum AFP. Nihon geka hokan. Archiv fur japanische Chirurgie 19810101
Properties