Basic Red 9

CAT: 1489-B7680-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:1489-B7680-01Size:25 g

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CAS Number

569-61-9

Purity

Dye content > 85 %

Chemical Information

Pararosaniline Hydrochloride

C.I. Basic Red 9 Monohydrochloride can cause cancer according to an independent committee of scientific and health experts.

CAS Number	569-61-9
PubChem CID	11292
IUPAC Name	4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
Molecular Formula	C19H18ClN3
Molecular Weight	323.8
Topological Polar Surface Area	75.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	457

SMILES

C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl

InChI

InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H

InChIKey

JUQPZRLQQYSMEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 569-61-9

CID: 11292

Formula: C19H18ClN3

MW: 323.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	323.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	323.1189253
Monoisotopic Mass	323.1189253
Topological Polar Surface Area	75.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	457
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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