Benzenesulfonic acid, 4-amino-3-methyl-


Chemical Name: Benzenesulfonic acid, 4-amino-3-methyl-
CAS Number: 98-33-9
Product Number: AG00IK06(AGN-PC-0JK82E)
Synonyms:
MDL No:
Molecular Formula: C7H9NO3S
Molecular Weight: 187.2163

Identification/Properties


Computed Properties
Molecular Weight:
187.213g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
187.03g/mol
Monoisotopic Mass:
187.03g/mol
Topological Polar Surface Area:
88.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
244
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H317-H319-H412
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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