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15904-54-8 | Ethanesulfonic acid, 2-(diethylamino)-
CAS No: 15904-54-8 Catalog No: AG001QFC MDL No:
Product Description
Catalog Number:
AG001QFC
Chemical Name:
Ethanesulfonic acid, 2-(diethylamino)-
CAS Number:
15904-54-8
Molecular Formula:
C6H15NO3S
Molecular Weight:
181.2532
IUPAC Name:
2-(diethylamino)ethanesulfonic acid
InChI:
InChI=1S/C6H15NO3S/c1-3-7(4-2)5-6-11(8,9)10/h3-6H2,1-2H3,(H,8,9,10)
InChI Key:
OIXSOQOJISAETD-UHFFFAOYSA-N
SMILES:
CCN(CCS(=O)(=O)O)CC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.077g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.25g/mol
Monoisotopic Mass:
181.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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