200,000+ products from a single source!
sales@angenechem.com
115532-50-8 | Xanthylium, 3,6-bis(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]-, perchlorate (1:1)
CAS No: 115532-50-8 Catalog No: AG000G4S MDL No:MFCD00467974
Product Description
Catalog Number:
AG000G4S
Chemical Name:
Xanthylium, 3,6-bis(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]-, perchlorate (1:1)
CAS Number:
115532-50-8
Molecular Formula:
C25H25ClN2O7
Molecular Weight:
500.9282
MDL Number:
MFCD00467974
IUPAC Name:
[6-(dimethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium;perchlorate
InChI:
InChI=1S/C25H25N2O3.ClHO4/c1-26(2)16-10-12-20-22(14-16)30-23-15-17(27(3)4)11-13-21(23)24(20)18-8-6-7-9-19(18)25(28)29-5;2-1(3,4)5/h6-15H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
PFYWPQMAWCYNGW-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COC(=O)c1ccccc1c1c2ccc(cc2[o+]c2c1ccc(c2)N(C)C)N(C)C
Properties
Complexity:
868
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.135g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.932g/mol
Monoisotopic Mass:
500.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.