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81239-45-4 | 3-(Benzyldimethylammonio);propane-1-sulfonate
CAS No: 81239-45-4 Catalog No: AG003IS0 MDL No:MFCD00225018
Product Description
Catalog Number:
AG003IS0
Chemical Name:
3-(Benzyldimethylammonio);propane-1-sulfonate
CAS Number:
81239-45-4
Molecular Formula:
C12H19NO3S
Molecular Weight:
257.3492
MDL Number:
MFCD00225018
IUPAC Name:
3-[benzyl(dimethyl)azaniumyl]propane-1-sulfonate
InChI:
InChI=1S/C12H19NO3S/c1-13(2,9-6-10-17(14,15)16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChI Key:
MEJASPJNLSQOAG-UHFFFAOYSA-N
SMILES:
C[N+](Cc1ccccc1)(CCCS(=O)(=O)[O-])C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.348g/mol
Monoisotopic Mass:
257.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Physical-chemical features of non-detergent sulfobetaines active as protein-folding helpers. | Biophysical chemistry 20030101 |
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