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Home> Hot Product Listed X   > Xanthylium,9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, inner salt

Xanthylium,9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, inner salt

CAS No.:25152-49-2
EINECS(EC#):246-666-8
Molecular Weight:514.95
Molecular Formula:C26H26 N2 O3 (Products with the same molecular formula)
MOL File:25152-49-2.mol
Names and Identifiers
Synonyms

Xanthylium,9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, inner saltBenzoicacid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]- (8CI) 9-(2-Carboxyphenyl)-2,7-dimethyl-3,6-bis(ethylamino)xanthyliumRhodamine 19 Rhodamine 575Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, hydroxide,inner salt Rhodamine 19 zwitterion

Inchi
InChI=1S/C26H26N2O3/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23/h7-14,27H,5-6H2,1-4H3,(H,29,30)
Canonical Smiles
CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)O)C)C
Properties
Density
1.2g/cm3
Boiling Point
612.4°Cat760mmHg
Flash Point
324.2°C
Reach Info
Computational chemical data

Molecular Weight:414.49624 [g/mol]
Molecular Formula:C26H26N2O3
XLogP3-AA:4.4
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:5
Tautomer Count:2
Exact Mass:414.194343
MonoIsotopic Mass:414.194343
Topological Polar Surface Area:70.9
Heavy Atom Count:31
Formal Charge:0
Complexity:838
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:2

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