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144060-92-4

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Basic Information
CAS No.: 144060-92-4
Name: 2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
Molecular Structure:
Molecular Structure of 144060-92-4 (2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester)
Formula: C17H22 N2 O3 S
Molecular Weight: 334.43
Synonyms: 5-thiazolecarboxylic acid, 2-[3-amino-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester;Ethyl 2-(3-amino-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;
Density: 1.176g/cm3
Boiling Point: 488.2 °C at 760 mmHg
Flash Point: 249 °C
PSA: 102.68000
LogP: 4.49340
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  • 2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester

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Specification

The 2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester with cas registry number of 144060-92-4, is also named Ethyl 2-(3-amino-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate ; 5-thiazolecarboxylic acid, 2-[3-amino-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester .

Physical properties of 2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester : (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.05; (4)ACD/LogD (pH 7.4): 5.05; (5)ACD/BCF (pH 5.5): 4022.74; (6)ACD/BCF (pH 7.4): 4066.52; (7)ACD/KOC (pH 5.5): 13193.41; (8)ACD/KOC (pH 7.4): 13337; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 102.68 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 93.32 cm3; (15)Molar Volume: 284.2 cm3; (16)Polarizability: 36.99×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Enthalpy of Vaporization: 75.42 kJ/mol; (19)Vapour Pressure: 1.11E-09 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:CC(C)COc1ccc(cc1N)c2nc(C)c(s2)C(=O)OCC; (2)InChI:InChI=1/C17H22N2O3S/c1-5-21-17(20)15-11(4)19-16(23-15)12-6-7-14(13(18)8-12)22-9-10(2)3/h6-8,10H,5,9,18H2,1-4H3; (3)InChIKey:RQDZYELGFUZPQX-UHFFFAOYAH; (4)Std. InChI:InChI=1S/C17H22N2O3S/c1-5-21-17(20)15-11(4)19-16(23-15)12-6-7-14(13(18)8-12)22-9-10(2)3/h6-8,10H,5,9,18H2,1-4H3; (5)Std. InChIKey:RQDZYELGFUZPQX-UHFFFAOYSA-N.