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85135-99-5 | SODIUM 2,6-DIAMINOTOLUENE-3-SULFONATE
CAS No: 85135-99-5 Catalog No: AG004R8Q MDL No:
Product Description
Catalog Number:
AG004R8Q
Chemical Name:
SODIUM 2,6-DIAMINOTOLUENE-3-SULFONATE
CAS Number:
85135-99-5
Molecular Formula:
C7H9N2NaO3S
Molecular Weight:
224.2127
IUPAC Name:
sodium;2,4-diamino-3-methylbenzenesulfonate
InChI:
InChI=1S/C7H10N2O3S.Na/c1-4-5(8)2-3-6(7(4)9)13(10,11)12;/h2-3H,8-9H2,1H3,(H,10,11,12);/q;+1/p-1
InChI Key:
BBGQOMSAZOPRBP-UHFFFAOYSA-M
SMILES:
Nc1ccc(c(c1C)N)S(=O)(=O)[O-].[Na+]
EC Number:
285-721-0
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.21g/mol
Monoisotopic Mass:
224.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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