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Phenylbutazone Impurity E

CAT: 1596-AR-P01709-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01709-06Size:250 Units
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CAS Number
531-85-1
Synonyms
Benzidine dihydrochloride; [1,1'-Biphenyl]-4,4'-diamine dihydrochloride; 4,4'-Bianiline dihydrochloride; 4,4'-Biphenyldiamine dihydrochloride; 4,4'-Diamino-1,1'-biphenyl dihydrochloride; 4,4'-Diaminobiphenyl dihydrochloride; 4,4'-Diaminodiphenyl dihydrochloride; NSC 146476 dihydrochloride
Molecular Formula
C12H12N2 . 2HCl
Molecular Weight
184.24 2x36.46
API Name
Phenylbutazone

Chemical Information

Benzidine dihydrochloride

Benzidine dihydrochloride is a white crystalline powder. (NTP, 1992)

CAS Number531-85-1
PubChem CID10754
IUPAC Name4-(4-aminophenyl)aniline;dihydrochloride
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16
Topological Polar Surface Area52
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity145
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl
InChI
InChI=1S/C12H12N2.2ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;/h1-8H,13-14H2;2*1H
InChIKey
RUAXWVDEYJEWRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzidine dihydrochloride
CAS: 531-85-1
CID: 10754
Formula: C12H14Cl2N2
MW: 257.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.16
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass256.0534038
Monoisotopic Mass256.0534038
Topological Polar Surface Area52 Ų
Heavy Atom Count16
Formal Charge0
Complexity145
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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