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Home > Nitro Compounds > 252577-83-6
252577-83-6 | tert-Butyl 1-(5-nitropyridine-2-yl)piperidine-4-ylcarbamate
CAS No: 252577-83-6 Catalog No: AG01F6YC MDL No:
Product Description
Catalog Number:
AG01F6YC
Chemical Name:
tert-Butyl 1-(5-nitropyridine-2-yl)piperidine-4-ylcarbamate
CAS Number:
252577-83-6
Molecular Formula:
C15H22N4O4
Molecular Weight:
322.3596
IUPAC Name:
tert-butyl N-[1-(5-nitropyridin-2-yl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C15H22N4O4/c1-15(2,3)23-14(20)17-11-6-8-18(9-7-11)13-5-4-12(10-16-13)19(21)22/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)
InChI Key:
IKSLQMQHJCAOHU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.164g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.365g/mol
Monoisotopic Mass:
322.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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