2-(Trifluoromethyl)morpholine Hydrochloride - CAS 1196152-51-8
Catalog: |
BB057186 |
Product Name: |
2-(Trifluoromethyl)morpholine Hydrochloride |
CAS: |
1196152-51-8 |
Synonyms: |
2-(trifluoromethyl)morpholine hydrochloride; 2-Trifluoromethyl-morpholine hydrochloride; 2-(trifluoromethyl)morpholine; hydrochloride; 2-(Trifluoromethyl)morpholine HCl; (S)-2-(Trifluoromethyl)morpholine hydrochloride |
IUPAC Name: | 2-(trifluoromethyl)morpholinehydrochloride |
Description: | 2-(Trifluoromethyl)morpholine Hydrochloride may be useful in the preparation of pyridazines, pyridines, and related heterocycles as MrgX2 antagonists for treatment of MrgX2-mediated diseases. |
Molecular Weight: | 191.57 |
Molecular Formula: | C5H8NOF3·HCl |
Canonical SMILES: | C1COC(CN1)C(F)(F)F.Cl |
InChI: | InChI=1S/C5H8F3NO.ClH/c6-5(7,8)4-3-9-1-2-10-4/h4,9H,1-3H21H |
InChI Key: | INIKTCFEWCCJMM-UHFFFAOYSA-N |
References: | Brnardic, E., et al.; PCT Int. Appl., 220pp. (2022). |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021222858-A1 | Antagonists of gpr39 protein | 20200430 |
US-2021188827-A1 | Atm kinase inhibitors and compositions and methods of use thereof | 20191204 |
WO-2021113506-A1 | Atm kinase inhibitors and compositions and methods of use thereof | 20191204 |
AU-2018370903-A1 | Pyrazolopyridinone compounds | 20171124 |
CA-3082509-A1 | Pyrazolopyridinone compounds | 20171124 |
WO-2019101182-A1 | Pyrazolopyridinone compounds | 20171124 |
BR-112020010012-A2 | pyrazolopyridinone compounds | 20171124 |
CN-111655690-A | Pyrazolopyridinone compounds | 20171124 |
EP-3713941-A1 | Pyrazolopyridinone compounds | 20171124 |
KR-20200092987-A | Pyrazolopyridinone compounds | 20171124 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.0324761 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.0324761 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 21.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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