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175205-36-4 | Benzenesulfonic acid, 4-methyl-, (2-aminoethyl)azanyl ester
CAS No: 175205-36-4 Catalog No: AG0020O3 MDL No:MFCD00276588
Product Description
Catalog Number:
AG0020O3
Chemical Name:
Benzenesulfonic acid, 4-methyl-, (2-aminoethyl)azanyl ester
CAS Number:
175205-36-4
Molecular Formula:
C9H14N2O3S
Molecular Weight:
230.2841
MDL Number:
MFCD00276588
IUPAC Name:
(2-aminoethylamino) 4-methylbenzenesulfonate
InChI:
InChI=1S/C9H14N2O3S/c1-8-2-4-9(5-3-8)15(12,13)14-11-7-6-10/h2-5,11H,6-7,10H2,1H3
InChI Key:
RWUMUZOGZPNCIL-UHFFFAOYSA-N
SMILES:
NCCNOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.282g/mol
Monoisotopic Mass:
230.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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