 Home > Encyclopedia > Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate(3-) (3:1)

Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate(3-) (3:1)

Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate(3-) (3:1) structure

CAS No:
67874-58-2
Formula:
C27H29N2O3.¹/3C16H9N4O9S2
Chemical Name:
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate(3-) (3:1)
Synonyms:
Xanthylium,3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-,4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate(3-) (3:1);1H-Pyrazole-3-carboxylic acid,4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-,compd. with methyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate (1:3);Xanthylium,3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-,salt with 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid (3:1);Benzoic acid,2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-,methyl ester,4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylate (3:1);1H-Pyrazole-3-carboxylic acid,4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-,ion(3-),tris[3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium]

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Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate(3-) (3:1) Basic Attributes

Molecular Weight：

1753.99000

Exact Mass：

1753.63790343

EC Number：

267-485-0

Characteristics

PSA：

411.68000

XLogP3：

20.88210

Boiling Point：

593.8ºC at 760 mmHg

Flash Point：

312.9ºC

Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate(3-) (3:1) Use and Manufacturing

Manufacturing Info：

Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate(3-) (3:1): ACTIVE

Computed Properties

Molecular Weight:1754.0
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:21
Exact Mass:1753.63790343
Monoisotopic Mass:1752.63454860
Topological Polar Surface Area:413
Heavy Atom Count:127
Complexity:1760
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes

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Guide of Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate(3-) (3:1)

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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