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Fuchsine base monohydrochloride

CAT: 0127-BUP19771-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-BUP19771-01Size:5 g
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CAS Number
632-99-5
Synonyms
Magenta base monohydrochloride, Rosaniline Base monohydrochloride, Basic Fuchsin monohydrochloride
Purity
=98%
Smiles
NC1=CC=C(/C(C2=CC=C(N)C=C2)=C3C=CC(C=C\3)=N)C=C1C.[H]Cl

Chemical Information

Basic violet 14

Rosanilin is a hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin. It has a role as a carcinogenic agent, a fluorochrome and a histological dye. It contains a rosanilin(1+).

CAS Number632-99-5
PubChem CID12447
IUPAC Name4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
Molecular FormulaC20H20ClN3
Molecular Weight337.8
Topological Polar Surface Area75.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity515
SMILES
CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl
InChI
InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,23H,21-22H2,1H3;1H
InChIKey
AXDJCCTWPBKUKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Basic violet 14
CAS: 632-99-5
CID: 12447
Formula: C20H20ClN3
MW: 337.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass337.1345753
Monoisotopic Mass337.1345753
Topological Polar Surface Area75.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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