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114640-91-4 | 2-Cyclohexen-1-one, 5,5-dimethyl-3-(1-piperidinylamino)-
CAS No: 114640-91-4 Catalog No: AG000EWL MDL No:
Product Description
Catalog Number:
AG000EWL
Chemical Name:
2-Cyclohexen-1-one, 5,5-dimethyl-3-(1-piperidinylamino)-
CAS Number:
114640-91-4
Molecular Formula:
C13H22N2O
Molecular Weight:
222.3266
IUPAC Name:
5,5-dimethyl-3-(piperidin-1-ylamino)cyclohex-2-en-1-one
InChI:
InChI=1S/C13H22N2O/c1-13(2)9-11(8-12(16)10-13)14-15-6-4-3-5-7-15/h8,14H,3-7,9-10H2,1-2H3
InChI Key:
XXVICKUBNDXIAC-UHFFFAOYSA-N
SMILES:
O=C1C=C(NN2CCCCC2)CC(C1)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.332g/mol
Monoisotopic Mass:
222.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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