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Gentian Violet-d6

CAT: 0024-sc-490103Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-490103Size:10 mg
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CAS Number
1266676-01-0

Chemical Information

[4-[[4-[Bis(trideuteriomethyl)amino]phenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride
CAS Number1266676-01-0
PubChem CID71316868
IUPAC Name[4-[[4-[bis(trideuteriomethyl)amino]phenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Molecular FormulaC25H30ClN3
Molecular Weight414.0
Topological Polar Surface Area9.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity542
SMILES
[2H]C([2H])([2H])N(C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C)C([2H])([2H])[2H].[Cl-]
InChI
InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1/i1D3,2D3;
InChIKey
ZXJXZNDDNMQXFV-TXHXQZCNSA-M
Chemical Structure
2D Structure
2D structure of [4-[[4-[Bis(trideuteriomethyl)amino]phenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride
CAS: 1266676-01-0
CID: 71316868
Formula: C25H30ClN3
MW: 414.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass413.2504861
Monoisotopic Mass413.2504861
Topological Polar Surface Area9.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity542
Isotope Atom Count6
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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Alternative Products

CatalogName
AR-G01254-01Gentian Violet-d6
TMIJ-0282-01Leuco Gentian Violet-d6
TRC-L330203-50MGLeuco Gentian Violet-d6 (Major)
FG01520-01Gentian violet
28376-01Crystal Violet (Gentian Violet)
TRC-G362500-50GGentian Violet (~90%)
GVS125Gentian Violet Solution
16614-22Gentian Violet B
AR-G01255-01Leuco Gentian Violet
CGV500Carbol Gentian Violet

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