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Home > Nitro Compounds > 146798-62-1
146798-62-1 | Piperidine, 3-(4-nitrophenyl)-1-propyl-, (3S)-
CAS No: 146798-62-1 Catalog No: AG001ECA MDL No:
Product Description
Catalog Number:
AG001ECA
Chemical Name:
Piperidine, 3-(4-nitrophenyl)-1-propyl-, (3S)-
CAS Number:
146798-62-1
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
3-(4-nitrophenyl)-1-propylpiperidine
InChI:
InChI=1S/C14H20N2O2/c1-2-9-15-10-3-4-13(11-15)12-5-7-14(8-6-12)16(17)18/h5-8,13H,2-4,9-11H2,1H3
InChI Key:
YZCPTDYGMIAUQY-UHFFFAOYSA-N
SMILES:
CCCN1CCC[C@H](C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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