Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatephosphate

Base Information

• Chemical Name: Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatephosphate
• CAS No.: 68310-07-6
• Deprecated CAS: 102082-93-9,103458-25-9,121889-92-7
• Molecular Formula: C27H29N2O3.xUnspecified
• Molecular Weight: 2402.562761
• European Community (EC) Number: 269-695-8
• Mol file: 68310-07-6.mol

Synonyms:68310-07-6;EINECS 269-695-8;Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatephosphate;dioxido(dioxo)molybdenum;ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium;phosphate;Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate;Xanthylium, 3,6-bis(ethylamino)-9-[2- (methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate;Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdate phosphate

Chemical Property of Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatephosphate

Chemical Property:

• PSA: 493.82000
• LogP: 34.64630
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 30
• Exact Mass: 2403.930926
• Heavy Atom Count: 170
• Complexity: 906

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.[O-]P(=O)([O-])[O-].[O-][Mo](=O)(=O)[O-]