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6375-02-6

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Basic Information
CAS No.: 6375-02-6
Name: 5-Amino-2-ethoxy-benzenesulfonic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 6375-02-6 (5-Amino-2-ethoxy-benzenesulfonic acid)
Formula: C8H11NO4S
Molecular Weight: 217.246
Synonyms: Metanilicacid, 6-ethoxy- (6CI,8CI);5-Amino-2-ethoxybenzenesulfonic acid;6-Ethoxymetanilic acid;NSC 508871;p-Phenetidine-3-sulfonic acid;
EINECS: 228-929-9
Density: 1.401 g/cm3
Boiling Point: 596.3°C at 760 mmHg
Flash Point: 314.4°C
PSA: 98.00000
LogP: 2.57620
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Specification

The 5-Amino-2-ethoxy-benzenesulfonic acid is an organic compound with the formula C8H11NO4S. The UPAC name of this chemical is 5-amino-2-ethoxybenzenesulfonic acid. With the CAS registry number 6375-02-6, it is also named as benzenesulfonic acid, 5-amino-2-ethoxy-.

Physical properties about 5-Amino-2-ethoxy-benzenesulfonic acid are: (1)ACD/LogP: -0.72; (2)ACD/LogD (pH 5.5): -3.96; (3)ACD/LogD (pH 7.4): -4.21; (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: 4; (11)Polar Surface Area: 64.22Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 51.71 cm3; (14)Molar Volume: 154.9 cm3; (15)Polarizability: 20.5×10-24cm3; (16)Surface Tension: 57.5 dyne/cm; (17)Density: 1.401 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(ccc1OCC)N
(2)InChI: InChI=1/C8H11NO4S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)
(3)InChIKey: INESHSIZOSSOEI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H11NO4S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)
(5)Std. InChIKey: INESHSIZOSSOEI-UHFFFAOYSA-N