Home Other Building Blocks 8-ANILINO-1-NAPHTHALENESULFONIC ACID AMMONIUM SALT HYDRATE, 97

8-ANILINO-1-NAPHTHALENESULFONIC ACID AMMONIUM SALT HYDRATE, 97

CAS No.:
206659-00-9
Catalog Number:
AG002IM3
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
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Product Description
Catalog Number:
AG002IM3
Chemical Name:
8-ANILINO-1-NAPHTHALENESULFONIC ACID AMMONIUM SALT HYDRATE, 97
CAS Number:
206659-00-9
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
MDL Number:
MFCD00012560
IUPAC Name:
azanium;8-anilinonaphthalene-1-sulfonate;hydrate
InChI:
InChI=1S/C16H13NO3S.H3N.H2O/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;;/h1-11,17H,(H,18,19,20);1H3;1H2
InChI Key:
WCSOAGYLOWUTAG-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)c1cccc2c1c(ccc2)Nc1ccccc1.O.[NH4+]
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.099g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
334.39g/mol
Monoisotopic Mass:
334.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties