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6441-82-3

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Basic Information
CAS No.: 6441-82-3
Name: ASTRAZON RED 6B
Molecular Structure:
Molecular Structure of 6441-82-3 (ASTRAZON RED 6B)
Formula: C24H30Cl2N2
Molecular Weight: 417.41
Synonyms: 2-[4-[(2-Chloroethyl)ethylamino]-2-methylstyryl]-1,3,3-trimethyl-3H-indoliumchloride (6CI,7CI);3H-Indolium,2-[2-[4-[(2-chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-,chloride (9CI);3H-Indolium,2-[4-[(2-chloroethyl)ethylamino]-2-methylstyryl]-1,3,3-trimethyl-, chloride(8CI);Aizen Cathilon Red 6B;Aizen Cathilon Red 6BH;Astrazon Red 6B;Basicviolet 7;C.I. 48020;C.I. Basic Violet 7;Cationic Red 6B;Genacryl Red 6B;Nabor Brilliant Red 6B;Red Astrazone 66;Stenacrile Brilliant Red 6B;Sumiacryl Red 6B;
EINECS: 229-227-5
Density: 0.97[at 20℃]
Boiling Point: 628.51℃[at 101 325 Pa]
Solubility: 12.59mg/L at 25℃
PSA: 6.25000
LogP: 2.74230
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Specification

The 3H-Indolium,2-[2-[4-[(2-chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-,chloride (1:1), with the CAS registry number 6441-82-3, is also known as Aizen Cathilon Red 6B. It belongs to the product categories of Organics; Indoles; Simple Indoles. Its EINECS registry number is 229-227-5. This chemical's molecular formula is C24H30Cl2N2 and molecular weight is 417.41. Its IUPAC name is called N-(2-chloroethyl)-N-ethyl-3-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride.

Physical properties of 3H-Indolium,2-[2-[4-[(2-chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-,chloride (1:1): ((1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 6; (4)Exact Mass: 416.178604; (5)MonoIsotopic Mass: 416.178604; (6)Topological Polar Surface Area: 6.2; (7)Heavy Atom Count: 28; (8)Formal Charge: 0; (9)Complexity: 565; (10)Undefined Bond StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CCCl)C1=CC(=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C)C.[Cl-]
(2)InChI: InChI=1S/C24H30ClN2.ClH/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;/h7-14,17H,6,15-16H2,1-5H3;1H/q+1;/p-1
(3)InChIKey: JQZWHMOVSQRYRN-UHFFFAOYSA-M