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Cas Database |
| Name |
Basic Violet 11 |
EINECS | 219-233-6 |
| CAS No. | 2390-63-8 | Density | 1.29[at 20℃] |
| PSA | 45.92000 | LogP | 4.40720 |
| Solubility | 26.6g/L at 20℃ | Melting Point |
N/A |
| Formula | C30H35N2O3.Cl | Boiling Point | 300℃[at 101 325 Pa] |
| Molecular Weight | 507.072 | Flash Point | N/A |
| Transport Information | N/A | Appearance | reddish violet powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 7 |
Basic Violet 11 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
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