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6973-05-3

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Basic Information
CAS No.: 6973-05-3
Name: 2-Acetamido-5-aminobenzenesulfonicacid
Article Data: 2
Molecular Structure:
Molecular Structure of 6973-05-3 (2-Acetamido-5-aminobenzenesulfonicacid)
Formula: C8H10N2O4S
Molecular Weight: 230.244
Synonyms: Benzenesulfonicacid, 2-acetamido-5-amino- (6CI);2-Acetamido-5-aminobenzenesulfonic acid;4-Amino-2-sulfoacetanilide;4-Aminoacetanilide-2-sulfonic acid;NSC 36987;
EINECS: 230-214-1
Density: 1.56 g/cm3
PSA: 117.87000
LogP: 2.20890
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Specification

The CAS register number of 2-Acetamido-5-aminobenzenesulphonic acid is 6973-05-3. It also can be called as Benzenesulfonic acid,2-(acetylamino)-5-amino- and the IUPAC name about this chemical is 2-acetamido-5-aminobenzenesulfonic acid. The molecular formula about this chemical is C8H10N2O4S and the molecular weight is 230.241000 g/mol.

Physical properties about 2-Acetamido-5-aminobenzenesulphonic acid are: (1)ACD/LogP: -1.01; (2)ACD/LogD (pH 5.5): -4.33; (3)ACD/LogD (pH 7.4): -4.51; (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: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 75.3Å2; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 53.74 cm3; (14)Molar Volume: 147.5 cm3; (15)Polarizability: 21.3x10-24cm3; (16)Surface Tension: 79 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1c(ccc(N)c1)NC(=O)C
(2)InChI: InChI=1/C8H10N2O4S/c1-5(11)10-7-3-2-6(9)4-8(7)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)
(3)InChIKey: HTSAIYNUUSUYAJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H10N2O4S/c1-5(11)10-7-3-2-6(9)4-8(7)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)
(5)Std. InChIKey: HTSAIYNUUSUYAJ-UHFFFAOYSA-N