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Home > Nitro Compounds > 182496-37-3
182496-37-3 | Piperazine, 1-[3-(4-nitrophenoxy)propyl]-4-(phenylmethyl)-
CAS No: 182496-37-3 Catalog No: AG0023XK MDL No:
Product Description
Catalog Number:
AG0023XK
Chemical Name:
Piperazine, 1-[3-(4-nitrophenoxy)propyl]-4-(phenylmethyl)-
CAS Number:
182496-37-3
Molecular Formula:
C20H25N3O3
Molecular Weight:
355.4308
IUPAC Name:
1-benzyl-4-[3-(4-nitrophenoxy)propyl]piperazine
InChI:
InChI=1S/C20H25N3O3/c24-23(25)19-7-9-20(10-8-19)26-16-4-11-21-12-14-22(15-13-21)17-18-5-2-1-3-6-18/h1-3,5-10H,4,11-17H2
InChI Key:
YHTMOJBRXBDJQK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.19g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.438g/mol
Monoisotopic Mass:
355.19g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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