Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate - CAS 329082-04-4
Catalog: |
BB046881 |
Product Name: |
Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate |
CAS: |
329082-04-4 |
Synonyms: |
ethyl 2-amino-5-[(diethylamino)carbonyl]-4-methylthiophene-3-carboxylate; 2-Amino-5-diethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester; ethyl 2-amino-5-(N,N-diethylcarbamoyl)-4-methylthiophene-3-carboxylate; ethyl 2-amino-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate |
IUPAC Name: | ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate |
Description: | Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS# 329082-04-4 ) is a useful research chemical. |
Molecular Weight: | 284.37 |
Molecular Formula: | C13H20N2O3S |
Canonical SMILES: | CCN(CC)C(=O)C1=C(C(=C(S1)N)C(=O)OCC)C |
InChI: | InChI=1S/C13H20N2O3S/c1-5-15(6-2)12(16)10-8(4)9(11(14)19-10)13(17)18-7-3/h5-7,14H2,1-4H3 |
InChI Key: | CQFLXLZREFAIKV-UHFFFAOYSA-N |
Boiling Point: | 468.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.184 g/cm3 |
Solubility: | >42.7 [ug/mL] (The mean of the results at pH 7.4) |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.11946368 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.11946368 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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