AG00I4M9

2390-59-2 | Ethanaminium,N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride

AG00I4M9

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CAS Number	2390-59-2
Catalog Number	AG00I4M9(AGN-PC-0QZXWT)
Chemical Name	Ethanaminium,N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride
EC Number	219-231-5
IUPAC Name	[4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;chloride
InChI	InChI=1S/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1
InChI Key	JVICFMRAVNKDOE-UHFFFAOYSA-M
MDL Number	MFCD16076674
Molecular Formula	C31H42ClN3
Molecular Weight	492.1383
NSC Number	8675
SMILES	[Cl-].C(C)N(C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=CC=C(C=C1)N(CC)CC)CC
UNII	94UZ9RD7TJ
Synonyms	(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)diethylammonium, basic violet 4, C.I. 42600, ethyl violet, ethyl violet chloride, ethyl violet molybdatephosphate, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium, Ethyl violet, Basic Violet 4, 2390-59-2, C.I. Basic Violet 4, Ethyl Violet AX, C.I. 42600, Ethyl Violet GGA, Ethyl crystal violet, Lowacryl Violet 4, Shikiso Acid Brilliant Blue 6B, Ethyl Violet (Biological Stain), UNII-94UZ9RD7TJ, Ethyl purple 6B, CCRIS 2452, NSC 8675, EINECS 219-231-5, MFCD00011765, 94UZ9RD7TJ, MLS002702521, CHEBI:88010, Ethyl Violet (C.I. 42600), Ethyl Violet, 80%, (4-(Bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)diethylammonium chloride, Ethanaminium, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride, MLS001359914, 4-{bis[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride, Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride, SMR001224407, C31H42N3.Cl, (4-{bis[4-(diethylamino)phenyl]methylene}cyclohexa-2,5-dienylidene)diethylamin e, chloride, Ethanaminium, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1), Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1), SCHEMBL81879, AC1L290Z, CHEMBL1698845, DTXSID5038913, C.I. Basic Violet 4 (8CI), NSC8675, JVICFMRAVNKDOE-UHFFFAOYSA-M, HMS3053C17, KS-00000YF3, NSC-8675, 6932AF, GT2065, SBB057285, AKOS015903204, MCULE-8318148980, AK163526, Ethyl Violet, cationic triarylmethane dye, LS-65099, ST080693, FT-0622588, ST24047192, J-015265, I14-18619, [4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium chloride, Ethanaminium,N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride, N-(4-{bis[4-(diethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride, Ethyl Violet - 25G 25g, C31-H42-N3.Cl, CID16955, Ethyl Violet C.I.No.42600 for microscopy 25gm, Ethanaminium,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride, [4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride, [4-[bis[4-(Diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium chloride (Violet 4 CI 42600), Ethanaminium, N-[4-[bis[4-(diethylamino) phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N -ethyl-, chloride,

Complexity	615
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	491.307g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	492.148g/mol
Monoisotopic Mass	491.307g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	9.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H412
Packing Group	Ⅲ
Precautionary statements	P273-P501
UN Code	UN 3077

Certificate of Analysis

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