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Home > Nitro Compounds > 78019-77-9
78019-77-9 | 4-methyl-1-(4-nitrophenyl)piperidine
CAS No: 78019-77-9 Catalog No: AG005DPB MDL No:MFCD00023663
Product Description
Catalog Number:
AG005DPB
Chemical Name:
4-methyl-1-(4-nitrophenyl)piperidine
CAS Number:
78019-77-9
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD00023663
IUPAC Name:
4-methyl-1-(4-nitrophenyl)piperidine
InChI:
InChI=1S/C12H16N2O2/c1-10-6-8-13(9-7-10)11-2-4-12(5-3-11)14(15)16/h2-5,10H,6-9H2,1H3
InChI Key:
QUDBEBFQYDWSTJ-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
158379
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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