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Basic Information
CAS No.: 2390-63-8
Name: Basic Violet 11
Article Data: 7
Molecular Structure:
Molecular Structure of 2390-63-8 (Basic Violet 11)
Formula: C30H35N2O3.Cl
Molecular Weight: 507.072
Synonyms: Ammonium,[9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride,ethyl ester (8CI);Ethanaminium,N-[6-(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N-ethyl-,chloride;Rhodamine 3B (6CI);Xanthylium,3,6-bis(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]-, chloride (9CI);[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammoniumchloride, ethyl ester (7CI);Aizen Cathilon Brilliant Pink CD-BH;Basonyl Red NB 560;C.I. 45175;C.I. Basic Red 19;C.I. Basic Violet 11;Ethylrhodamine B;Rhodamine B ethyl ester;Rhodamine F 3B;
EINECS: 219-233-6
Density: 1.29[at 20℃]
Boiling Point: 300℃[at 101 325 Pa]
Solubility: 26.6g/L at 20℃
Appearance: reddish violet powder
PSA: 45.92000
LogP: 4.40720
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  • 2390-63-8 CAS NO.2390-63-8

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    2390-63-8 CAS NO.2390-63-8

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  • Basic Violet 11 CAS NO.2390-63-8

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    Basic Violet 11 CAS NO.2390-63-8

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  • [6-diethylamino-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride

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    2390-63-8

    [6-diethylamino-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride

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  • BASIC VIOLET 11

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    BASIC VIOLET 11

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Specification

The IUPAC name of Basic Violet 11 is [6-(diethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride. With the CAS registry number 2390-63-8, it is also named as Xanthylium, 3,6-bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)-, chloride (1:1). The product's category is Dyes and Pigments, and the other registry numbers are 152071-34-6; 217457-21-1. In addition, its molecular formula is C30H35N2O3.Cl and molecular weight is 507.07.

The other characteristics of Basic Violet 11 can be summarized as: (1)EINECS: 219-233-6; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 5; (4)Rotatable Bond Count: 9; (5)Exact Mass: 506.233621; (6)MonoIsotopic Mass: 506.233621; (7)Topological Polar Surface Area: 41.8; (8)Heavy Atom Count: 36; (9)Complexity: 842.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Cl-].O=C(OCC)c4ccccc4C=1c3c(OC=2C=1\C=C/C(=[N+](/CC)CC)/C=2)cc(cc3)N(CC)CC
(2)InChI: InChI=1/C30H35N2O3.ClH/c1-6-31(7-2)21-15-17-25-27(19-21)35-28-20-22(32(8-3)9-4)16-18-26(28)29(25)23-13-11-12-14-24(23)30(33)34-10-5;/h11-20H,6-10H2,1-5H3;1H/q+1;/p-1
(3)InChIKey: UOKMUTMXUMSRKM-REWHXWOFAE
(4)Std. InChI: InChI=1S/C30H35N2O3.ClH/c1-6-31(7-2)21-15-17-25-27(19-21)35-28-20-22(32(8-3)9-4)16-18-26(28)29(25)23-13-11-12-14-24(23)30(33)34-10-5;/h11-20H,6-10H2,1-5H3;1H/q+1;/p-1
(5)Std. InChIKey: UOKMUTMXUMSRKM-UHFFFAOYSA-M