Basic information
- CAS
445465-72-5- Standard SMILES
CC1CCN(c2ccc(C(F)(F)F)cc2N)CC1- InChIKey
KSTMIUZGZUTXPS-UHFFFAOYSA-N- Molecular formula
- C13H17F3N2
- Average molar mass
- 258.28 g/mol
- Monoisotopic mass
- 258.13438304
Names & identifiers
- Preferred name
- 2-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)aniline
- IUPAC
- 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)aniline
- English name
- 2-(4-Methyl-1-piperidinyl)-5-(trifluoromethyl)-phenylamine
- Molecular formula
- C13H17F3N2
- Molecular weight
- 258.28
Names & synonyms
2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)aniline445465-72-5DTXSID90352565RefChem:252717DTXCID103036302-(4-METHYL-1-PIPERIDINYL)-5-(TRIFLUOROMETHYL)-PHENYLAMINE2-(4-methyl-1-piperidyl)-5-(trifluoromethyl)aniline2-(4-methylpiperidyl)-5-(trifluoromethyl)phenylamineHMS2714D11MFCD03034595MLS000728750CHEMBL1319855
Show more names
Benzenamine, 2-(4-methyl-1-piperidinyl)-5-(trifluoromethyl)-
KSTMIUZGZUTXPS-UHFFFAOYSA-NVSA46572SBB073260STK728931AKOS000100371SMR000307028ST038994DB-391629
Database identifiers
- CAS
445465-72-5- PubChem CID
- 729328
- DTXSID
DTXSID90352565- ChEMBL
CHEMBL1319855
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 339.1 · 339.1±42.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 6.19 · 6.19±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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