Pigment Red 81:2 structure

Pigment Red 81:2

methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate

Also Known As: Pigment Red 81:2|EINECS 278-270-6|Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate|methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate|Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatesilicate|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, methyl ester, molybdosilicate|278-270-6|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, methyl ester, compd. with molybdenum hydroxide oxide silicate|Xanthylium, 3,6-bis(ethylamino)-9-[2- (methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate|Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdate silicate|Xanthylium, 3,6-bis(ethylamino)-9-2-(methoxycarbonyl)phenyl-2,7-dimethyl-, molybdatesilicate

CAS: 75627-12-2
Molecular Formula C27H30N2O3
Molecular Weight 430.22565 g/mol
LogP 5.57882
Topological Polar Surface Area 59.59 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 430.22565
Monoisotopic Mass 430.22565
Heavy Atoms 32
Complexity 1171.4191

Chemical Identifiers

CAS Number 75627-12-2
SMILES CCNC1=CC2=C(C=C1C)C(=C3CC(=C(C=C3O2)NCC)C)C4=CC=CC=C4C(=O)OC

Product Overview

Pigment Red 81:2 (CAS 75627-12-2), with molecular formula C27H30N2O3 and molecular weight 430.22565 g/mol. IUPAC: methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate.

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