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P-Phenylenediamine 97% Extrapure

CAT: 1507-1990A 00250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:1507-1990A 00250Size:250 mg
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CAS Number
106-50-3
HSN Code
29215130

Chemical Information

P-Phenylenediamine

1,4-phenylenediamine is a phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. It has a role as a reagent, a dye, an allergen and a hapten.

CAS Number106-50-3
PubChem CID7814
IUPAC Namebenzene-1,4-diamine
Molecular FormulaC6H8N2
Molecular Weight108.14
XLogP-0.3
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity54
SMILES
C1=CC(=CC=C1N)N
InChI
InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
InChIKey
CBCKQZAAMUWICA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P-Phenylenediamine
CAS: 106-50-3
CID: 7814
Formula: C6H8N2
MW: 108.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight108.14
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass108.068748264
Monoisotopic Mass108.068748264
Topological Polar Surface Area52 Ų
Heavy Atom Count8
Formal Charge0
Complexity54.9
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