Basic information
- CAS
1260761-49-6- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CN)C(C(F)(F)F)C1- InChIKey
NXUPFJYYZIGTJY-UHFFFAOYSA-N- Molecular formula
- C12H21F3N2O2
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.1555124
Names & identifiers
- Preferred name
- Tert-butyl 4-(aminomethyl)-3-(trifluoromethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(aminomethyl)-3-(trifluoromethyl)piperidine-1-carboxylate
- English name
- 4-Aminomethyl-3-trifluoromethyl-piperidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C12H21F3N2O2
- Molecular weight
- 282.3
Names & synonyms
1260761-49-6tert-butyl 4-(aminomethyl)-3-(trifluoromethyl)piperidine-1-carboxylateSCHEMBL23527911DTXSID10697369DB-419728tert-butyl4-(aminomethyl)-3-(trifluoromethyl)piperidine-1-carboxylate4-Aminomethyl-3-trifluoromethyl-piperidine-1-carboxylic acid tert-butyl ester4-Aminomethyl-3-trifluoromethyl-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-(aminomethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1260761-49-6- PubChem CID
- 53418005
- DTXSID
DTXSID10697369
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 304.5 · 304.5±37.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 10.13 · 10.13±0.29(Predicted)
Chemistry & industry
Suppliers1 total
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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