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1255098-67-9 | 1-Piperidinecarboxylic acid, 4-amino-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1255098-67-9 Catalog No: AG000NRX MDL No:MFCD11848147
Product Description
Catalog Number:
AG000NRX
Chemical Name:
1-Piperidinecarboxylic acid, 4-amino-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1255098-67-9
Molecular Formula:
C11H19F3N2O2
Molecular Weight:
268.2760
MDL Number:
MFCD11848147
IUPAC Name:
tert-butyl 4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-8(15)7(6-16)11(12,13)14/h7-8H,4-6,15H2,1-3H3
InChI Key:
LGIQYBKJHLHGST-UHFFFAOYSA-N
SMILES:
NC1CCN(CC1C(F)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.28g/mol
Monoisotopic Mass:
268.14g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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