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3,3'-Dihydroxybenzidine

CAT: 0013-GTR19224642-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224642-01Size:100 mg
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Description
3,3'-Dihydroxybenzidine is a bioactive aromatic amine used as a biochemical tool in research. It serves as a key intermediate in the synthesis of dyes and polymers and is employed in in vitro studies to investigate aromatic amine metabolism and toxicity mechanisms.
CAS Number
2373-98-0
Smiles
Nc1ccc (cc1O) -c1ccc (N) c (O) c1
Molecular Formula
C12H12N2O2
Molecular Weight
216.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,3'-Dihydroxybenzidine

3,3'-dihydroxybenzidine appears as colorless crystals. (NTP, 1992)

CAS Number2373-98-0
PubChem CID16918
IUPAC Name2-amino-5-(4-amino-3-hydroxyphenyl)phenol
Molecular FormulaC12H12N2O2
Molecular Weight216.24
XLogP1.5
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity213
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)O)O)N
InChI
InChI=1S/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2
InChIKey
ZGDMDBHLKNQPSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Dihydroxybenzidine
CAS: 2373-98-0
CID: 16918
Formula: C12H12N2O2
MW: 216.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.24
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass216.089877630
Monoisotopic Mass216.089877630
Topological Polar Surface Area92.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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