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138569-94-5 | Ethanesulfonic acid, 2-(methyl-4-pyridinylamino)-
CAS No: 138569-94-5 Catalog No: AG0018QX MDL No:
Product Description
Catalog Number:
AG0018QX
Chemical Name:
Ethanesulfonic acid, 2-(methyl-4-pyridinylamino)-
CAS Number:
138569-94-5
Molecular Formula:
C8H12N2O3S
Molecular Weight:
216.2575
IUPAC Name:
2-[methyl(pyridin-4-yl)amino]ethanesulfonic acid
InChI:
InChI=1S/C8H12N2O3S/c1-10(6-7-14(11,12)13)8-2-4-9-5-3-8/h2-5H,6-7H2,1H3,(H,11,12,13)
InChI Key:
METSYLGWHVLIBQ-UHFFFAOYSA-N
SMILES:
CN(c1ccncc1)CCS(=O)(=O)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.255g/mol
Monoisotopic Mass:
216.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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