(E)-4-Amino-4-ethoxy-1,1,1-trifluoro-3-buten-2-one - CAS 128648-60-2
Catalog: |
BB006919 |
Product Name: |
(E)-4-Amino-4-ethoxy-1,1,1-trifluoro-3-buten-2-one |
CAS: |
128648-60-2 |
Synonyms: |
(E)-4-amino-4-ethoxy-1,1,1-trifluoro-3-buten-2-one; (E)-4-amino-4-ethoxy-1,1,1-trifluorobut-3-en-2-one |
IUPAC Name: | (E)-4-amino-4-ethoxy-1,1,1-trifluorobut-3-en-2-one |
Description: | (E)-4-Amino-4-ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS# 128648-60-2 ) is a useful research chemical. |
Molecular Weight: | 183.13 |
Molecular Formula: | C6H8F3NO2 |
Canonical SMILES: | CCOC(=CC(=O)C(F)(F)F)N |
InChI: | InChI=1S/C6H8F3NO2/c1-2-12-5(10)3-4(11)6(7,8)9/h3H,2,10H2,1H3/b5-3+ |
InChI Key: | UELADEJAOQURQK-HWKANZROSA-N |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 1.65470 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016222278-A1 | Sulfonylureas and related compounds and use of same | 20150216 |
AU-2020203464-A1 | Sulfonylureas and related compounds and use of same | 20150216 |
CA-2975192-A1 | Sulfonylureas and related compounds and use of same | 20150216 |
EP-3259253-A1 | Sulfonylureas and related compounds and use of same | 20150216 |
EP-3259253-B1 | Sulfonylureas and related compounds and use of same | 20150216 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 183.05071298 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.05071298 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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