Home Sulfos 1-Butanesulfonic acid, 4-amino-

1-Butanesulfonic acid, 4-amino-

CAS No.:
14064-34-7
Catalog Number:
AG001CLQ
Molecular Formula:
C4H11NO3S
Molecular Weight:
153.2000
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Product Description
Catalog Number:
AG001CLQ
Chemical Name:
1-Butanesulfonic acid, 4-amino-
CAS Number:
14064-34-7
Molecular Formula:
C4H11NO3S
Molecular Weight:
153.2000
MDL Number:
MFCD20690771
IUPAC Name:
4-aminobutane-1-sulfonic acid
InChI:
InChI=1S/C4H11NO3S/c5-3-1-2-4-9(6,7)8/h1-5H2,(H,6,7,8)
InChI Key:
KNILZINKISHVIQ-UHFFFAOYSA-N
SMILES:
NCCCCS(=O)(=O)O
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.046g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
153.196g/mol
Monoisotopic Mass:
153.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4  
Literature
Title Journal
Variable-temperature 17O NMR studies allow quantitative evaluation of molecular dynamics in organic solids. Journal of the American Chemical Society 20120905
Properties