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 Number	120209-97-4
PubChem CID	114754
IUPAC Name	phenazine-2,7-diamine
Molecular Formula	C12H10N4
Molecular Weight	210.23
XLogP	1.3
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	231

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

CAS: 120209-97-4

CID: 114754

Formula: C12H10N4

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	210.090546336
Monoisotopic Mass	210.090546336
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR5459-01	Phenazine-2,3-diamine
OR1070908-01	Pyrene-2,7-diamine
OR1069869-01	Quinoline-2,7-diamine
OR82458-01	Naphthalene-2,7-diamine
OR322728-01	7-Bromoquinazoline-2,4-diamine
OR18320-01	Phenazine
OR1030232-01	9H-Fluorene-2,7-Diamine Dihydrochloride
BUP18253-01	Phenazine methylsulfate
BIP0622-01	Phenazine ethosulphate
OR1014611-01	Phenazine Methosulfate

Catalog	Name
PEA05872-01	Quinoline-2,7-diamine
TRC-P295383-10G	Phenazine
FDA88813-01	7-Ethylpteridine-2,4-diamine
JH408472	9H-carbazole-2,7-diamine
GTR19240008-01	1,8-Naphthyridine-2,7-diamine
JH917400	6,7-Dimethoxyquinazoline-2,4-diamine
41600072-3	Phenazine Methosulfate
HY-D1509-01	Phenazine ethosulfate
MBS5775675	Phenazine oxide