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114100-09-3 | Methanesulfonamide, N-[3-(aminomethyl)phenyl]-
CAS No: 114100-09-3 Catalog No: AG000AKY MDL No:MFCD05663962
Product Description
Catalog Number:
AG000AKY
Chemical Name:
Methanesulfonamide, N-[3-(aminomethyl)phenyl]-
CAS Number:
114100-09-3
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
MDL Number:
MFCD05663962
IUPAC Name:
N-[3-(aminomethyl)phenyl]methanesulfonamide
InChI:
InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-3-7(5-8)6-9/h2-5,10H,6,9H2,1H3
InChI Key:
FPVJHDMFGIXROX-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)NS(=O)(=O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.256g/mol
Monoisotopic Mass:
200.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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