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50402-57-8 | 8-((2-Aminoethyl)amino)naphthalene-1-sulfonic acid
CAS No: 50402-57-8 Catalog No: AG003SDZ MDL No:
Product Description
Catalog Number:
AG003SDZ
Chemical Name:
8-((2-Aminoethyl)amino)naphthalene-1-sulfonic acid
CAS Number:
50402-57-8
Molecular Formula:
C12H14N2O3S
Molecular Weight:
266.3162
IUPAC Name:
8-(2-aminoethylamino)naphthalene-1-sulfonic acid
InChI:
InChI=1S/C12H14N2O3S/c13-7-8-14-10-5-1-3-9-4-2-6-11(12(9)10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)
InChI Key:
XCNDHKWVELDQPO-UHFFFAOYSA-N
SMILES:
NCCNc1cccc2c1c(ccc2)S(=O)(=O)O
EC Number:
256-576-0
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.315g/mol
Monoisotopic Mass:
266.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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