CAS No.3068-39-1,Basic Red 1:1 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3068-39-1
Name:	Basic Red 1:1

Formula:	C₂₇H₂₉N₂O₃^.Cl
Molecular Weight:	464.992
Synonyms:	Benzoicacid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, methylester, monohydrochloride (8CI);Benzoic acid,o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, methyl ester,hydrochloride (7CI);Xanthylium,3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride (9CI);Basonyl Red 481;Basonyl Red 485;C.I. 45161;C.I. Basic Red1:1;Rhodamine 5GLD;Rhodamine F 4G;Rhodamine F4GK;
EINECS:	221-326-1
Density:	1.27[at 20℃]
Boiling Point:	593.8ºC at 760 mmHg
Flash Point:	312.9ºC
Solubility:	18.9g/L at 20℃
Appearance:	bright red crystal
PSA:	63.83000
LogP:	6.83540

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Specification

The IUPAC name of 3,6-Bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chloride is ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium chloride. With the CAS registry number 3068-39-1 and EINECS 221-326-1, it is also named as Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, chloride. The product's category is Dyes and Pigments. It is used as pigment in the production of senior ink.

The other characteristics of 3,6-Bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chloride can be summarized as: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 63.5 Å²; (5)Rotatable Bond Count: 6; (6)Tautomer Count: 2; (7)Exact Mass: 464.186671; (8)MonoIsotopic Mass: 464.186671; (9)Topological Polar Surface Area: 61.5; (10)Heavy Atom Count: 33; (11)Formal Charge: 0; (12)Complexity: 807; (13)Covalently-Bonded Unit Count: 2.

People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].COC(=O)c4ccccc4c1c3cc(C)c(NCC)cc3[o+]c2cc(NCC)c(C)cc12
2. InChI:InChI=1/C27H29N2O3.ClH/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;/h8-15,28-29H,6-7H2,1-5H3;1H/q+1;/p-1
3. InChIKey:WDTZNHRKHNKDOU-REWHXWOFAY