Ethyl 2-[(3-methoxypropyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate - CAS 937597-98-3
Catalog: |
BB048895 |
Product Name: |
Ethyl 2-[(3-methoxypropyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
CAS: |
937597-98-3 |
Synonyms: |
5-Thiazolecarboxylic acid, 2-[(3-methoxypropyl)amino]-4-(trifluoromethyl)-, ethyl ester; Ethyl 2-[(3-methoxypropyl)amino]-4-(trifluoromethyl)-5-thiazolecarboxylate |
IUPAC Name: | ethyl 2-(3-methoxypropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-[(3-methoxypropyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CAS# 937597-98-3 ) is a useful research chemical. |
Molecular Weight: | 312.31 |
Molecular Formula: | C11H15F3N2O3S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)NCCCOC)C(F)(F)F |
InChI: | InChI=1S/C11H15F3N2O3S/c1-3-19-9(17)7-8(11(12,13)14)16-10(20-7)15-5-4-6-18-2/h3-6H2,1-2H3,(H,15,16) |
InChI Key: | OWYZUADQFRIATQ-UHFFFAOYSA-N |
Boiling Point: | 375.1±52.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.326±0.06 g/cm3 (Predicted) |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.075548 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.075548 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 88.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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