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102161-51-3 | Piperidine, 1-(2-phenylethyl)-, 1-oxide
CAS No: 102161-51-3 Catalog No: AG0006RM MDL No:
Product Description
Catalog Number:
AG0006RM
Chemical Name:
Piperidine, 1-(2-phenylethyl)-, 1-oxide
CAS Number:
102161-51-3
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
1-oxido-1-(2-phenylethyl)piperidin-1-ium
InChI:
InChI=1S/C13H19NO/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChI Key:
AWMSAHZDWMXZES-UHFFFAOYSA-N
SMILES:
[O-][N+]1(CCCCC1)CCc1ccccc1
NSC Number:
57946
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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