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139717-27-4 | Methanesulfonamide, N-[2-[(4-amino-2-methylphenyl)ethylamino]ethyl]-
CAS No: 139717-27-4 Catalog No: AG001BJQ MDL No:
Product Description
Catalog Number:
AG001BJQ
Chemical Name:
Methanesulfonamide, N-[2-[(4-amino-2-methylphenyl)ethylamino]ethyl]-
CAS Number:
139717-27-4
Molecular Formula:
C12H21N3O2S
Molecular Weight:
271.3790
IUPAC Name:
N-[2-[2-(4-amino-2-methylphenyl)ethylamino]ethyl]methanesulfonamide
InChI:
InChI=1S/C12H21N3O2S/c1-10-9-12(13)4-3-11(10)5-6-14-7-8-15-18(2,16)17/h3-4,9,14-15H,5-8,13H2,1-2H3
InChI Key:
QNVRYQDKFGAWDX-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C)CCNCCNS(=O)(=O)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.135g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.379g/mol
Monoisotopic Mass:
271.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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