Free Chemical Databases
-
[Synonyms]
1-Amino-1-butanesulfonic acid
NSC401554
AIDS130275
AIDS-130275
NSC 401554
7478-91-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 153.20004 [g/mol] Molecular Formula C4H11NO3S XLogP -0.7 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 3 Exact Mass 153.045964 MonoIsotopic Mass 153.045964 Topological Polar Surface Area 80.4 Heavy Atom Count 9 Formal Charge 0 Complexity 157 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-aminobutane-1-sulfonic acid
Canonical SMILES: CCCC(N)S(=O)(=O)O
InChI: InChI=1/C4H11NO3S/c1-2-3-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H,6,7,8)/f/h6H
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