7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline Hydrochloride - CAS 220247-87-0
Catalog: |
BB017297 |
Product Name: |
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline Hydrochloride |
CAS: |
220247-87-0 |
Synonyms: |
7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride; 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
IUPAC Name: | 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
Description: | 1,2,3,4-Tetrahydro-7-(trifluoromethyl)isoquinoline Hydrochloride are potent inhibitors of phenylethanolamine N-methyltransferase, enzyme involved in the biosynthesis of epinephrine. |
Molecular Weight: | 237.65 |
Molecular Formula: | C10H11ClF3N |
Canonical SMILES: | C1CNCC2=C1C=CC(=C2)C(F)(F)F.Cl |
InChI: | InChI=1S/C10H10F3N.ClH/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9;/h1-2,5,14H,3-4,6H2;1H |
InChI Key: | KAYKKSBELWYSON-UHFFFAOYSA-N |
Boiling Point: | 228.9 ℃ at 760 mmHg |
LogP: | 3.48190 |
Publication Number | Title | Priority Date |
TW-201922700-A | Indole benzene derivative and its medical use | 20171031 |
WO-2019088057-A1 | Anilide derivative and medicinal use thereof | 20171031 |
JP-WO2019088057-A1 | Anilide derivatives and their pharmaceutical uses | 20171031 |
TW-201920137-A | Cyclic amine derivatives and their medical uses | 20170831 |
WO-2019044940-A1 | CYCLIC AMINE DERIVATIVE AND ITS USE FOR MEDICAL PURPOSES | 20170831 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.0532115 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.0532115 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Quinoline/Isoquinoline
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