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Benzenesulfonic acid,5-amino-2-ethoxy- (6375-02-6)

Identification
Name:Benzenesulfonic acid,5-amino-2-ethoxy-
Synonyms:Metanilicacid, 6-ethoxy- (6CI,8CI); 5-Amino-2-ethoxybenzenesulfonic acid;6-Ethoxymetanilic acid; NSC 508871; p-Phenetidine-3-sulfonic acid
CAS:6375-02-6
EINECS: 228-929-9
Molecular Formula: C8H11 N O4 S
Molecular Weight: 217.04
InChI: InChI=1/C19H17ClN2O3S/c1-12-9-15(5-6-16(12)20)25-8-7-24-14-4-2-3-13(10-14)11-17-18(23)22-19(21)26-17/h2-6,9-11H,7-8H2,1H3,(H2,21,22,23)/b17-11-
Molecular Structure: (C8H11NO4S) Metanilicacid, 6-ethoxy- (6CI,8CI); 5-Amino-2-ethoxybenzenesulfonic acid;6-Ethoxymetanilic acid; NSC...
Properties
Flash Point: 314.4°C
Boiling Point: 596.3°C at 760 mmHg
Density:1.35g/cm3
Refractive index:1.637
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

Flash Point: 314.4°C
Safety Data
 

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