2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester supplier

Name
2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
EINECS
CAS No. 144060-92-4
Density 1.176g/cm³
Solubility
Melting Point
Formula C₁₇H₂₂ N₂ O₃ S
Boiling Point 488.2 °C at 760 mmHg
Molecular Weight 334.43
Flash Point 249 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 102.68000
LogP 4.49340

2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester 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.

Product Name

2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester

2-[3-Amino-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester Specification

Related Products

Hot Products