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153086-37-4

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Basic Information
CAS No.: 153086-37-4
Name: 2-(N,N-DIPROPYL)AMINO ANISOLE-4-SULFONIC ACID
Molecular Structure:
Molecular Structure of 153086-37-4 (2-(N,N-DIPROPYL)AMINO ANISOLE-4-SULFONIC ACID)
Formula: C13H21NO4S
Molecular Weight: 287.38
Synonyms: 2-(N,N-DIPROPYL)AMINO ANISOLE-4-SULFONIC ACID;3-(Dipropylamino)-4-methoxybenzenesulfonic acid
Density: 1.196 g/cm3
PSA: 75.22000
LogP: 3.64910
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Specification

The 3-(Dipropylamino)-4-methoxybenzenesulfonic acid is an organic compound with the formula C13H21NO4S. The systematic/IUPAC name of this chemical is 3-(dipropylamino)-4-methoxybenzenesulfonic acid. With the CAS registry number 153086-37-4, it is also named as 2-(N,N-Dipropyl)aminoanisole-4-sulfonic acid.

Physical properties about 3-(Dipropylamino)-4-methoxybenzenesulfonic acid are: (1)ACD/LogP: 3.56; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): 0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.01; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 75.22 Å2; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 75.12 cm3; (14)Molar Volume: 240.2 cm3; (15)Polarizability: 29.78×10-24cm3; (16)Surface Tension: 45.4 dyne/cm; (17)Density: 1.196 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1N(CCC)CCC)S(O)(=O)=O
(2)InChI: InChI=1/C13H21NO4S/c1-4-8-14(9-5-2)12-10-11(19(15,16)17)6-7-13(12)18-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16,17)
(3)InChIKey: RJPSRICWXREMFJ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C13H21NO4S/c1-4-8-14(9-5-2)12-10-11(19(15,16)17)6-7-13(12)18-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16,17)
(5)Std. InChIKey: RJPSRICWXREMFJ-UHFFFAOYSA-N