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Basic information
- CAS
552868-13-0- Standard SMILES
FC(F)(F)c1cccc(CN2CCCNCC2)c1- InChIKey
HZKKJRGALXURLA-UHFFFAOYSA-N- Molecular formula
- C13H17F3N2
- Average molar mass
- 258.287 g/mol
- Monoisotopic mass
- 258.1343832
Names & identifiers
- Preferred name
- Hexahydro-1-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,4-diazepine
- IUPAC
- 1-{[3-(Trifluoromethyl)phenyl]methyl}-1,4-diazepane
- English name
- 1-[3-(TrifluoroMethyl)benzyl]hoMopiperazine, 95%
- Molecular formula
- C13H17F3N2
- Molecular weight
- 258.28
Names & synonyms
1-[3-(TrifluoroMethyl)benzyl]hoMopiperazine, 95%1-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepane1H-1,4-Diazepine, hexahydro-1-[[3-(trifluoromethyl)phenyl]methyl]-
Database identifiers
- CAS
552868-13-0- PubChem CID
- 22353281
- DTXSID
DTXSID601171416
Properties
Physicochemical properties
- Boiling point
- 290.7 · 290.7±40.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 10.54 · 10.54±0.20(Predicted)
Chemistry & industry
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
2 records
Compound notes
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