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Home > Nitro Compounds > 870888-38-3
870888-38-3 | Piperidine, 4-methyl-4-(4-nitro-1-naphthalenyl)-
CAS No: 870888-38-3 Catalog No: AG004UWH MDL No:
Product Description
Catalog Number:
AG004UWH
Chemical Name:
Piperidine, 4-methyl-4-(4-nitro-1-naphthalenyl)-
CAS Number:
870888-38-3
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
IUPAC Name:
4-methyl-4-(4-nitronaphthalen-1-yl)piperidine
InChI:
InChI=1S/C16H18N2O2/c1-16(8-10-17-11-9-16)14-6-7-15(18(19)20)13-5-3-2-4-12(13)14/h2-7,17H,8-11H2,1H3
InChI Key:
OZCPYVFVKKEQKV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cccc2)C1(C)CCNCC1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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