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Diphenylamine Hydrochloride

CAT: 1568-C11174-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C11174-25mgSize:25 mg
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CAS Number
537-67-7
Synonyms
N-Phenylbenzenamine, Anilinobenzene, C.I. 10355
Target
OXPHOS
Applications
Apoptosis
Smiles
C1=CC=C (C=C1) NC2=CC=CC=C2.Cl
Molecular Formula
C12H12ClN
Additionnal Information
Diphenylamine (N-Phenylbenzenamine, Anilinobenzene, C.I. 10355), a derivative of aniline, is widely used as an industrial antioxidant, dye mordant and reagent and is also employed in agriculture as a fungicide and antihelmintic. Diphenylamine can inhibits oxidative phosphorylationsignificantly, although its inhibition potency was weaker than that of NSAIDs with a diphenylamine structure.
Storage Conditions
3 years -20°C powder

Chemical Information

Diphenylamine hydrochloride
CAS Number537-67-7
PubChem CID68311
IUPAC NameN-phenylaniline;hydrochloride
Molecular FormulaC12H12ClN
Molecular Weight205.68
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity116
SMILES
C1=CC=C(C=C1)NC2=CC=CC=C2.Cl
InChI
InChI=1S/C12H11N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10,13H;1H
InChIKey
JEFJSEIUEJBMSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diphenylamine hydrochloride
CAS: 537-67-7
CID: 68311
Formula: C12H12ClN
MW: 205.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass205.0658271
Monoisotopic Mass205.0658271
Topological Polar Surface Area12 Ų
Heavy Atom Count14
Formal Charge0
Complexity116
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