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Benzidine sulfate

CAT: 0926-WAA13670-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-WAA13670-01Size:50 g
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CAS Number
21136-70-9
MDL Number
MFCD00043421
Smiles
C1=CC (=CC=C1C2=CC=C (C=C2) N) N.OS (=O) (=O) O
Molecular Formula
C12H14N2O4S
Molecular Weight
282.32 g/mol
Controlled
Yes

Chemical Information

Benzidine sulfate

See also: Salts of benzidine ( (annotation moved to).

CAS Number21136-70-9
PubChem CID88797
IUPAC Name4-(4-aminophenyl)aniline;sulfuric acid
Molecular FormulaC12H14N2O4S
Molecular Weight282.32
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity226
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N)N.OS(=O)(=O)O
InChI
InChI=1S/C12H12N2.H2O4S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5(2,3)4/h1-8H,13-14H2;(H2,1,2,3,4)
InChIKey
ZOXJIQNURSAHRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzidine sulfate
CAS: 21136-70-9
CID: 88797
Formula: C12H14N2O4S
MW: 282.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight282.32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass282.06742811
Monoisotopic Mass282.06742811
Topological Polar Surface Area135 Ų
Heavy Atom Count19
Formal Charge0
Complexity226
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes