ChemicalBook--->CAS DataBase List--->495415-51-5

495415-51-5

495415-51-5 Structure

495415-51-5 Structure
IdentificationBack Directory
[Name]

4-Trifluoromethyl-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester
[CAS]

495415-51-5
[Synonyms]

N-BOC-4-TRIFLUOROMETHYLPIPERIDINE-4-CARBOXYLIC ACID
4-Trifluoromethyl-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester
1,4-Piperidinedicarboxylic acid, 4-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)piperidine-4-carboxylic acid
[Molecular Formula]

C12H18F3NO4
[MDL Number]

MFCD11848173
[MOL File]

495415-51-5.mol
[Molecular Weight]

297.27
Chemical PropertiesBack Directory
[Boiling point ]

347.4±42.0 °C(Predicted)
[density ]

1.301±0.06 g/cm3(Predicted)
[storage temp. ]

Store at 0-8 °C
[pka]

1.86±0.20(Predicted)
[InChI]

InChI=1S/C12H18F3NO4/c1-10(2,3)20-9(19)16-6-4-11(5-7-16,8(17)18)12(13,14)15/h4-7H2,1-3H3,(H,17,18)
[InChIKey]

NECZIICXICWRHJ-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC(C(F)(F)F)(C(O)=O)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

4-Trifluoromethyl-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester(495415-51-5)1HNMR
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