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132327-75-4 | 1-Propanesulfonic acid, 3-[(3,5-dimethylphenyl)ethylamino]-
CAS No: 132327-75-4 Catalog No: AG0010K7 MDL No:
Product Description
Catalog Number:
AG0010K7
Chemical Name:
1-Propanesulfonic acid, 3-[(3,5-dimethylphenyl)ethylamino]-
CAS Number:
132327-75-4
Molecular Formula:
C13H21NO3S
Molecular Weight:
271.3757
IUPAC Name:
3-[2-(3,5-dimethylphenyl)ethylamino]propane-1-sulfonic acid
InChI:
InChI=1S/C13H21NO3S/c1-11-8-12(2)10-13(9-11)4-6-14-5-3-7-18(15,16)17/h8-10,14H,3-7H2,1-2H3,(H,15,16,17)
InChI Key:
TXQPLORYYXKNGC-UHFFFAOYSA-N
SMILES:
Cc1cc(CCNCCCS(=O)(=O)O)cc(c1)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.124g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.375g/mol
Monoisotopic Mass:
271.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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