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Phenazine-2,7-diamine

CAT: 0127-OR1052888-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1052888-01Size:50 mg
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CAS Number
120209-97-4
MDL Number
MFCD01708512
Purity
95%
Smiles
NC1=CC=C2C(N=C3C=CC(N)=CC3=N2)=C1

Chemical Information

2,7-Diaminophenazine

mutagenic oxidation products of o- and m-phenylenediamine

CAS Number120209-97-4
PubChem CID114754
IUPAC Namephenazine-2,7-diamine
Molecular FormulaC12H10N4
Molecular Weight210.23
XLogP1.3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity231
SMILES
C1=CC2=C(C=C1N)N=C3C=CC(=CC3=N2)N
InChI
InChI=1S/C12H10N4/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H,13-14H2
InChIKey
ZNXLTODDKYXLAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,7-Diaminophenazine
CAS: 120209-97-4
CID: 114754
Formula: C12H10N4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass210.090546336
Monoisotopic Mass210.090546336
Topological Polar Surface Area77.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity231
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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