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138892-81-6 | 1-Butanesulfonic acid, 2,4-diamino-4-oxo-
CAS No: 138892-81-6 Catalog No: AG0019RX MDL No:
Product Description
Catalog Number:
AG0019RX
Chemical Name:
1-Butanesulfonic acid, 2,4-diamino-4-oxo-
CAS Number:
138892-81-6
Molecular Formula:
C4H10N2O4S
Molecular Weight:
182.1982
IUPAC Name:
2,4-diamino-4-oxobutane-1-sulfonic acid
InChI:
InChI=1S/C4H10N2O4S/c5-3(1-4(6)7)2-11(8,9)10/h3H,1-2,5H2,(H2,6,7)(H,8,9,10)
InChI Key:
ASIWNSSMBSJSJN-UHFFFAOYSA-N
SMILES:
NC(CS(=O)(=O)O)CC(=O)N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.194g/mol
Monoisotopic Mass:
182.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
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