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2-Naphthalenesulfonicacid, 4-hydroxy-6-(methylamino)- (6259-53-6)

Identification
Name:2-Naphthalenesulfonicacid, 4-hydroxy-6-(methylamino)-
Synonyms:1-Naphthol-3-sulfonicacid, 7-methylamino- (6CI);2-(Methylamino)-8-hydroxy-6-naphthalenesulfonicacid;4-Hydroxy-6-(methylamino)-2-naphthalenesulfonic acid;8-Hydroxy-2-(methylamino)-6-naphthalenesulfonic acid;N-Methyl-Gamma acid;
CAS:6259-53-6
EINECS: 228-406-5
Molecular Formula: C11H11NO4S
Molecular Weight: 253.27
InChI: InChI=1/C11H11NO4S/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8/h2-6,12-13H,1H3,(H,14,15,16)
Molecular Structure: (C11H11NO4S) 1-Naphthol-3-sulfonicacid, 7-methylamino- (6CI);2-(Methylamino)-8-hydroxy-6-naphthalenesulfonicacid;...
Properties
Density:1.542 g/cm3
Refractive index:1.602
Appearance:Yellowish green wet cake
Specification:

The CAS register number of 4-Hydroxy-6-methylamino-2-naphthalene sulfonic acid is 6259-53-6. It also can be called as 2-Naphthalenesulfonic acid, 4-hydroxy-6-(methylamino)- and the IUPAC name about this chemical is 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid. The molecular formula about this chemical is C11H11NO4S and molecular weight is 253.27.

Physical properties about 4-Hydroxy-6-methylamino-2-naphthalene sulfonic acid are: (1)ACD/LogP: -0.80; (2)ACD/LogD (pH 5.5): -4.1; (3)ACD/LogD (pH 7.4): -4.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 64.22Å2; (12)Index of Refraction: 1.714; (13)Molar Refractivity: 64.46 cm3; (14)Molar Volume: 164.2 cm3; (15)Polarizability: 25.55x10-24cm3; (16)Surface Tension: 77.3 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2cc1ccc(cc1c(O)c2)NC
(2)InChI: InChI=1/C11H11NO4S/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8/h2-6,12-13H,1H3,(H,14,15,16)
(3)InChIKey: SEHCLGZKORRUKN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H11NO4S/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8/h2-6,12-13H,1H3,(H,14,15,16)
(5)Std. InChIKey: SEHCLGZKORRUKN-UHFFFAOYSA-N

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