Cas no 75627-12-2 (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-, molybdatesilicate structure
75627-12-2 structure
Product Name:Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate
CAS No:75627-12-2
MF:C27H30N2O3
MW:430.538707256317
CID:59708
PubChem ID:3086031
Update Time:2025-04-18

Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate Chemical and Physical Properties

Names and Identifiers

    • 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
    • PIGMENT RED 81:2
    • Benzoic acid,2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-,methyl ester,molybdosilicate
    • EINECS 278-270-6
    • Xanthylium,3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-,molybdatesilicate
    • C.I. 45161:1
    • 3,6-Bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethylxanthylium molybdatesilicate
    • SCHEMBL7846168
    • 75627-12-2
    • 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
    • Inchi： 1S/C27H30N2O3/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24/h8-12,14-15,28-29H,6-7,13H2,1-5H3
    • InChI Key： QRMFKPKHIPCYEO-UHFFFAOYSA-N
    • SMILES： O1C2C=C(C(C)=CC=2C(C2C=CC=CC=2C(=O)OC)=C2C1=CC(=C(C)C2)NCC)NCC

Computed Properties

  • Exact Mass: 1954.72000
  • Monoisotopic Mass: 430.226
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 7
  • Complexity: 812
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 59.6A^2
  • XLogP3: 4.9

Experimental Properties

  • Density: 1.2
  • Boiling Point: 608.7°Cat760mmHg
  • Flash Point: 321.9°C
  • Refractive Index: 1.622
  • PSA: 397.45000
  • LogP: 26.57600

Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate Related Literature

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