Basic information
- CAS
1213516-55-2- Standard SMILES
CCCC[C@@H](N)c1cccc(OC(F)(F)F)c1- InChIKey
CMNWSPZGMODYAX-LLVKDONJSA-N- Molecular formula
- C12H16F3NO
- Average molar mass
- 247.26 g/mol
Names & identifiers
- Preferred name
- (R)-1-(3-(Trifluoromethoxy)phenyl)pentan-1-amine
- IUPAC
- (1R)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
- English name
- (1R)-1-[3-(Trifluoromethoxy)phenyl]pentylamine
- Molecular formula
- C12H16F3NO
- Molecular weight
- 247.26
Names & synonyms
(R)-1-(3-(Trifluoromethoxy)phenyl)pentan-1-amine1213516-55-2SCHEMBL1730276CMNWSPZGMODYAX-LLVKDONJSA-NDB-179423(R)-1-[3-(trifluoromethoxy)phenyl]pentylamine(1R)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine1391551-11-3(1R)-1-[3-(Trifluoromethoxy)phenyl]pentylamineBenzenemethanamine, α-butyl-3-(trifluoromethoxy)-, (αR)-
Database identifiers
- CAS
1213516-55-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 259 · 259.0±40.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 8.98 · 8.98±0.10(Predicted)
Chemistry & industry
Suppliers2 total
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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