Home Sulfos 1-aminopyridin-1-ium 2,4,6-trimethylbenzene-1-sulfonate

1-aminopyridin-1-ium 2,4,6-trimethylbenzene-1-sulfonate

CAS No.:
39996-41-3
Catalog Number:
AG01B6L1
Molecular Formula:
C14H18N2O3S
Molecular Weight:
294.3693
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Product Description
Catalog Number:
AG01B6L1
Chemical Name:
1-aminopyridin-1-ium 2,4,6-trimethylbenzene-1-sulfonate
CAS Number:
39996-41-3
Molecular Formula:
C14H18N2O3S
Molecular Weight:
294.3693
MDL Number:
MFCD30342995
IUPAC Name:
pyridin-1-ium-1-amine;2,4,6-trimethylbenzenesulfonate
InChI:
InChI=1S/C9H12O3S.C5H7N2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;6-7-4-2-1-3-5-7/h4-5H,1-3H3,(H,10,11,12);1-5H,6H2/q;+1/p-1
InChI Key:
UDVCZSURIVJFJO-UHFFFAOYSA-M
SMILES:
Cc1cc(C)c(c(c1)C)S(=O)(=O)[O-].N[n+]1ccccc1
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.104g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.369g/mol
Monoisotopic Mass:
294.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties