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139444-38-5 | Benzenesulfonic acid, 5-amino-2-(aminomethyl)-
CAS No: 139444-38-5 Catalog No: AG001B14 MDL No:
Product Description
Catalog Number:
AG001B14
Chemical Name:
Benzenesulfonic acid, 5-amino-2-(aminomethyl)-
CAS Number:
139444-38-5
Molecular Formula:
C7H10N2O3S
Molecular Weight:
202.2309
IUPAC Name:
5-amino-2-(aminomethyl)benzenesulfonic acid
InChI:
InChI=1S/C7H10N2O3S/c8-4-5-1-2-6(9)3-7(5)13(10,11)12/h1-3H,4,8-9H2,(H,10,11,12)
InChI Key:
WVRFOWUCHMXFRU-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1S(=O)(=O)O)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.228g/mol
Monoisotopic Mass:
202.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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