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144796-65-6 | 2-Naphthalenesulfonic acid, 6-[[4-(1,1-dimethylethyl)phenyl]amino]-, sodium salt (1:1)
CAS No: 144796-65-6 Catalog No: AG001K6Q MDL No:
Product Description
Catalog Number:
AG001K6Q
Chemical Name:
2-Naphthalenesulfonic acid, 6-[[4-(1,1-dimethylethyl)phenyl]amino]-, sodium salt (1:1)
CAS Number:
144796-65-6
Molecular Formula:
C20H20NNaO3S
Molecular Weight:
377.4325
IUPAC Name:
6-(4-tert-butylanilino)naphthalene-2-sulfonate
InChI:
InChI=1S/C20H21NO3S/c1-20(2,3)16-6-9-17(10-7-16)21-18-8-4-15-13-19(25(22,23)24)11-5-14(15)12-18/h4-13,21H,1-3H3,(H,22,23,24)/p-1
InChI Key:
QLAAJFRQMRRTMI-UHFFFAOYSA-M
SMILES:
CC(c1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-])(C)C.[Na+]
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.116g/mol
Formal Charge:
-1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.444g/mol
Monoisotopic Mass:
354.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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