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Diphenylamine Hydrochloride

CAT: 0127-BUP19294Size: 1 mLDry Ice: NoHazardous: No
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CAT#:0127-BUP19294Size:1 mL
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CAS Number
537-67-7
Purity
=98%
Smiles
Cl.N(c1ccccc1)c1ccccc1

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
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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