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1185052-17-8 | Azepan-1-yl-piperidin-3-yl-methanonetrifluoroacetate
CAS No: 1185052-17-8 Catalog No: AG01FO8I MDL No:
Product Description
Catalog Number:
AG01FO8I
Chemical Name:
Azepan-1-yl-piperidin-3-yl-methanonetrifluoroacetate
CAS Number:
1185052-17-8
IUPAC Name:
azepan-1-yl(piperidin-3-yl)methanone;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C12H22N2O.C2HF3O2/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14;3-2(4,5)1(6)7/h11,13H,1-10H2;(H,6,7)
InChI Key:
BYQGXFREFQXVKW-UHFFFAOYSA-N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.166g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.344g/mol
Monoisotopic Mass:
324.166g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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