Basic Violet 8

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CAS Number

8004-94-2

MDL Number

MFCD00059988

Smiles

CN (C) C1=CC2=[N+] (C3=C (C=CC (=C3) N) N=C2C=C1) C4=CC=CC=C4.[Cl-]

Chemical Information

Phenazinium, 2-amino-8-(dimethylamino)-10-phenyl-, chloride (1:1)

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CAS Number	8004-94-2
PubChem CID	75442
IUPAC Name	2-N,2-N-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride
Molecular Formula	C20H19ClN4
Molecular Weight	350.8
Topological Polar Surface Area	46
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	420

SMILES

CN(C)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H18N4.ClH/c1-23(2)16-9-11-18-20(13-16)24(15-6-4-3-5-7-15)19-12-14(21)8-10-17(19)22-18;/h3-13,21H,1-2H3;1H

InChIKey

SQHWUYVHKRVCMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 8004-94-2

CID: 75442

Formula: C20H19ClN4

MW: 350.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	350.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	350.1298243
Monoisotopic Mass	350.1298243
Topological Polar Surface Area	46 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	420
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	2
Compound Is Canonicalized	Yes

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