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808761-43-5 | 3-(Aminomethyl);-N-methylbenzenesulfonamide
CAS No: 808761-43-5 Catalog No: AG005IAX MDL No:MFCD09732338
Product Description
Catalog Number:
AG005IAX
Chemical Name:
3-(Aminomethyl);-N-methylbenzenesulfonamide
CAS Number:
808761-43-5
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
MDL Number:
MFCD09732338
IUPAC Name:
3-(aminomethyl)-N-methylbenzenesulfonamide
InChI:
InChI=1S/C8H12N2O2S/c1-10-13(11,12)8-4-2-3-7(5-8)6-9/h2-5,10H,6,9H2,1H3
InChI Key:
FMVLDCBNRZZNPH-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)S(=O)(=O)NC
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:
-0.8
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