RefChem:138111

[4-[(2-chlorophenyl)-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium chloride

Also Known As: Isosulfan Blue Impurity 3|EINECS 269-935-1|2-ethylhexan-1-aminium acetate|Ethanaminium, N-(4-((2-chlorophenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride|Ethanaminium, N-(4-((2-chlorophenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1)|Ethanaminium, N-[4-[(2-chlorophenyl)[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|N-(4-((2-Chlorophenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl ethanamium, chloride|n-(4-{(2-chlorophenyl)[4-(diethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-n-ethylethanaminium chloride|(4-((2-Chlorophenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)diethylammonium chloride|[4-[(2-chlorophenyl)-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium chloride|[4-[(2-Chlorophenyl)[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride|4-{(2-Chlorophenyl)[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride|Ethanaminium, N-[4-[(2-chlorophenyl)[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|N-(4-((2-chlorophenyl)(4-(diethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride

Molecular Formula	C27H32Cl2N2
Molecular Weight	454.19424 g/mol
LogP	3.61
Topological Polar Surface Area	6.25 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	7
Exact Mass	454.19424
Heavy Atoms	31
Complexity	970.2

Chemical Identifiers

CAS Number	68391-24-2
SMILES	CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3Cl.[Cl-]