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1245700-93-9 | Benzenesulfonic acid, 4-(2-aminoethyl)-, hydrochloride (1:1)
CAS No: 1245700-93-9 Catalog No: AG000MDS MDL No:
Product Description
Catalog Number:
AG000MDS
Chemical Name:
Benzenesulfonic acid, 4-(2-aminoethyl)-, hydrochloride (1:1)
CAS Number:
1245700-93-9
Molecular Formula:
C8H12ClNO3S
Molecular Weight:
237.7038
IUPAC Name:
4-(2-aminoethyl)benzenesulfonic acid;hydrochloride
InChI:
InChI=1S/C8H11NO3S.ClH/c9-6-5-7-1-3-8(4-2-7)13(10,11)12;/h1-4H,5-6,9H2,(H,10,11,12);1H
InChI Key:
QQWBHFBIGBXMRG-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)S(=O)(=O)O.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.698g/mol
Monoisotopic Mass:
237.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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