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819863-55-3 | 1-Propanesulfonic acid, 3-[[2-(aminocarbonyl)-3-methylbutyl]amino]-
CAS No: 819863-55-3 Catalog No: AG0054OD MDL No:
Product Description
Catalog Number:
AG0054OD
Chemical Name:
1-Propanesulfonic acid, 3-[[2-(aminocarbonyl)-3-methylbutyl]amino]-
CAS Number:
819863-55-3
Molecular Formula:
C9H20N2O4S
Molecular Weight:
252.3311
IUPAC Name:
3-[(2-carbamoyl-3-methylbutyl)amino]propane-1-sulfonic acid
InChI:
InChI=1S/C9H20N2O4S/c1-7(2)8(9(10)12)6-11-4-3-5-16(13,14)15/h7-8,11H,3-6H2,1-2H3,(H2,10,12)(H,13,14,15)
InChI Key:
NJFBAMSKPGHQCL-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)N)CNCCCS(=O)(=O)O)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.329g/mol
Monoisotopic Mass:
252.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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