Basic blue 3

CAT: 0024-sc-214572Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-214572Size:100 g

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CAS Number

33203-82-6

Chemical Information

C.I. Basic Blue 3

structure in first source

CAS Number	33203-82-6
PubChem CID	118408
IUPAC Name	[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium chloride
Molecular Formula	C20H26ClN3O
Molecular Weight	359.9
Topological Polar Surface Area	27.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	533

SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]

InChI

InChI=1S/C20H26N3O.ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;/h9-14H,5-8H2,1-4H3;1H/q+1;/p-1

InChIKey

IURGIPVDZKDLIX-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 33203-82-6

CID: 118408

Formula: C20H26ClN3O

MW: 359.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	359.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	359.1764402
Monoisotopic Mass	359.1764402
Topological Polar Surface Area	27.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	533
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