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Home > Nitro Compounds > 80281-60-3
80281-60-3 | N-(4-NITROPHENYL)-3-(PIPERIDIN-1-YL)-N-TERT-BUTYL-PROPANIMIDAMIDE
CAS No: 80281-60-3 Catalog No: AG005BRY MDL No:
Product Description
Catalog Number:
AG005BRY
Chemical Name:
N-(4-NITROPHENYL)-3-(PIPERIDIN-1-YL)-N-TERT-BUTYL-PROPANIMIDAMIDE
CAS Number:
80281-60-3
Molecular Formula:
C18H28N4O2
Molecular Weight:
332.4405
IUPAC Name:
N-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide
InChI:
InChI=1S/C18H28N4O2/c1-18(2,3)21(15-7-9-16(10-8-15)22(23)24)17(19)11-14-20-12-5-4-6-13-20/h7-10,19H,4-6,11-14H2,1-3H3
InChI Key:
AKBLEAZNMUIGHY-UHFFFAOYSA-N
SMILES:
N=C(N(C(C)(C)C)c1ccc(cc1)[N+](=O)[O-])CCN1CCCCC1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.221g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.448g/mol
Monoisotopic Mass:
332.221g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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