Basic information
- CAS
220247-87-0- Standard SMILES
Cl.FC(F)(F)c1ccc2c(c1)CNCC2- InChIKey
KAYKKSBELWYSON-UHFFFAOYSA-N- Molecular formula
- C10H11ClF3N
- Average molar mass
- 237.65 g/mol
- Monoisotopic mass
- 237.05321169
Names & identifiers
- Preferred name
- 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
- IUPAC
- 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
- English name
- 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride
- Molecular formula
- C10H11ClF3N
- Molecular weight
- 237.65
Names & synonyms
220247-87-07-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochlorideMFCD058615447-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline HCl7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinolinehydrochloride1,2,3,4-Tetrahydro-7-(trifluoromethyl)isoquinoline Hydrochloride7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium;chlorideSCHEMBL1000239SCHEMBL38674115DTXSID906568187-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline,hydrochloride
Show more names
Isoquinoline,1,2,3,4-tetrahydro-7-(trifluoromethyl)-, hydroc...Isoquinoline, 1,2,3,4-tetrahydro-7-(trifluoromethyl)-, hydrochlorideIsoquinoline,1,2,3,4-tetrahydro-7-(trifluoromethyl)-, hydrochloride (1:1)
SC2431AKOS015849701DS-0603SB35492SY112524DB-031624CS-0018997F076925
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to off-white Solid
- 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
- InChIKey
- KAYKKSBELWYSON-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C2CCNCC2=C1)(F)(F)F.Cl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933491090 · 2933491090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933491090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,2,3,4-Tetrahydro-7-(trifluoromethyl)isoquinoline Hydrochloride are potent inhibitors of phenylethanolamine N-methyltransferase, enzyme involved in the biosynthesis of epinephrine.
Suppliers64 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
苏州艾缇克药物化学有限公司0512-68323967 18015559028 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海忆嵘生物科技有限公司
Related reactions
4 records
Compound notes
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