200,000+ products from a single source!
sales@angenechem.com
85-80-3 | 2-Naphthalenesulfonicacid, 5-(acetylamino)-8-amino-
CAS No: 85-80-3 Catalog No: AG004RKG MDL No:
Product Description
Catalog Number:
AG004RKG
Chemical Name:
2-Naphthalenesulfonicacid, 5-(acetylamino)-8-amino-
CAS Number:
85-80-3
Molecular Formula:
C12H12N2O4S
Molecular Weight:
280.2997
IUPAC Name:
5-acetamido-8-aminonaphthalene-2-sulfonic acid
InChI:
InChI=1S/C12H12N2O4S/c1-7(15)14-12-5-4-11(13)10-6-8(19(16,17)18)2-3-9(10)12/h2-6H,13H2,1H3,(H,14,15)(H,16,17,18)
InChI Key:
HHZJYPDSTRLGEP-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c2c1ccc(c2)S(=O)(=O)O)N
NSC Number:
37078
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| HIV-1 integrase pharmacophore: discovery of inhibitors through three-dimensional database searching. | Journal of medicinal chemistry 19970314 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.