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5974-19-6

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Basic Information
CAS No.: 5974-19-6
Name: benzyl[4-[bis[p-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]methylammonium chloride
Molecular Structure:
Molecular Structure of 5974-19-6 (benzyl[4-[bis[p-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]methylammonium chloride)
Formula: C31H34 N3 . Cl
Molecular Weight: 484.13
Synonyms: Ammonium,benzyl[4-[bis[p-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]methyl-,chloride (8CI); Benzenemethanaminium,N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,chloride (9CI); Pentamethylbenzyl-p-rosaniline chloride
Safety: Poison by ingestion. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
PSA: 9.49000
LogP: 3.03400
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Chemistry

IUPAC Name: [4-[[4-[Benzyl(methyl)amino]phenyl]-(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Synonyms of Benzyl(4-(bis(p-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)methylammonium chloride (CAS NO.5974-19-6): N-[4-({4-[Benzyl(methyl)amino]phenyl}[4-(dimethylamino)phenyl]methylidene)cyclohexa-2,5-dien-1-ylidene]-N-methylmethanaminium chloride
CAS NO: 5974-19-6
Molecular Formula: C31H34ClN3
Molecular Weight: 484.0748
Molecular Structure:
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 9.49 Å2
SMILES: [Cl-].C(=C\1/C=C\C(=[N+](\C)C)/C=C/1)(\c2ccc(N(C)C)cc2)c4ccc(N(Cc3ccccc3)C)cc4
InChI: InChI=1/C31H34N3.ClH/c1-32(2)28-17-11-25(12-18-28)31(26-13-19-29(20-14-26)33(3)4)27-15-21-30(22-16-27)34(5)23-24-9-7-6-8-10-24;/h6-22H,23H2,1-5H3;1H/q+1;/p-1
InChIKey: ZMJPCIAEJKVKMQ-REWHXWOFAI
Std. InChI: InChI=1S/C31H34N3.ClH/c1-32(2)28-17-11-25(12-18-28)31(26-13-19-29(20-14-26)33(3)4)27-15-21-30(22-16-27)34(5)23-24-9-7-6-8-10-24;/h6-22H,23H2,1-5H3;1H/q+1;/p-1
Std. InChIKey: ZMJPCIAEJKVKMQ-UHFFFAOYSA-M

Uses

 Benzyl(4-(bis(p-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)methylammonium chloride (CAS NO.5974-19-6) is used as a biological stain.