200,000+ products from a single source!
sales@angenechem.com
85567-47-1 | Phenazinium,3-amino-7-(dimethylamino)-1,2-dimethyl-5-(3-sulfophenyl)-, inner salt
CAS No: 85567-47-1 Catalog No: AG004QIF MDL No:
Product Description
Catalog Number:
AG004QIF
Chemical Name:
Phenazinium,3-amino-7-(dimethylamino)-1,2-dimethyl-5-(3-sulfophenyl)-, inner salt
CAS Number:
85567-47-1
Molecular Formula:
C22H22N4O3S
Molecular Weight:
422.5001
IUPAC Name:
3-[3-amino-7-(dimethylamino)-1,2-dimethylphenazin-5-ium-5-yl]benzenesulfonate
InChI:
InChI=1S/C22H22N4O3S/c1-13-14(2)22-21(12-18(13)23)26(16-6-5-7-17(10-16)30(27,28)29)20-11-15(25(3)4)8-9-19(20)24-22/h5-12,23H,1-4H3,(H,27,28,29)
InChI Key:
OACXLMJLRGRIFA-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)[n+](c1cccc(c1)S(=O)(=O)[O-])c1c(n2)c(C)c(c(c1)N)C)C
EC Number:
287-760-9
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.503g/mol
Monoisotopic Mass:
422.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.