Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate - CAS 315683-17-1
Catalog: |
BB046890 |
Product Name: |
Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate |
CAS: |
315683-17-1 |
Synonyms: |
2-Amino-4-(4-isopropyl-phenyl)-thiophene-3-carboxylic acid ethyl ester; 3-Thiophenecarboxylic acid, 2-amino-4-[4-(1-methylethyl)phenyl]-, ethyl ester; ethyl 2-amino-4-[4-(methylethyl)phenyl]thiophene-3-carboxylate; Ethyl 2-amino-4-(4-isopropylphenyl)-3-thiophenecarboxylate |
IUPAC Name: | ethyl 2-amino-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate |
Description: | Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate (CAS# 315683-17-1 ) is a useful research chemical. |
Molecular Weight: | 289.39 |
Molecular Formula: | C16H19NO2S |
Canonical SMILES: | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)C)N |
InChI: | InChI=1S/C16H19NO2S/c1-4-19-16(18)14-13(9-20-15(14)17)12-7-5-11(6-8-12)10(2)3/h5-10H,4,17H2,1-3H3 |
InChI Key: | AVVSSBPDKUXIQQ-UHFFFAOYSA-N |
Boiling Point: | 413.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.153 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P270, P273, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.11365002 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.11365002 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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