Home Nitriles 4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile, trifluoroacetic acid

4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile, trifluoroacetic acid

CAS No.:
2138087-94-0
Catalog Number:
AG01EJ5R
Molecular Formula:
C12H19F3N2O3
Molecular Weight:
296.2861
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Product Description
Catalog Number:
AG01EJ5R
Chemical Name:
4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile, trifluoroacetic acid
CAS Number:
2138087-94-0
Molecular Formula:
C12H19F3N2O3
Molecular Weight:
296.2861
MDL Number:
MFCD31559232
IUPAC Name:
4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H18N2O.C2HF3O2/c1-8(2)5-10(13,7-11)6-9(3,4)12-8;3-2(4,5)1(6)7/h12-13H,5-6H2,1-4H3;(H,6,7)
InChI Key:
HYFSDTYLSMISFO-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.N#CC1(O)CC(C)(C)NC(C1)(C)C
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.135g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
296.29g/mol
Monoisotopic Mass:
296.135g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties