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Home > Nitro Compounds > 846023-54-9
846023-54-9 | Piperazine, 1-[3-(2-methoxy-5-nitrophenoxy)propyl]-4-methyl-
CAS No: 846023-54-9 Catalog No: AG004UAY MDL No:
Product Description
Catalog Number:
AG004UAY
Chemical Name:
Piperazine, 1-[3-(2-methoxy-5-nitrophenoxy)propyl]-4-methyl-
CAS Number:
846023-54-9
Molecular Formula:
C15H23N3O4
Molecular Weight:
309.3608
IUPAC Name:
1-[3-(2-methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine
InChI:
InChI=1S/C15H23N3O4/c1-16-7-9-17(10-8-16)6-3-11-22-15-12-13(18(19)20)4-5-14(15)21-2/h4-5,12H,3,6-11H2,1-2H3
InChI Key:
GIODEEXALCHTQP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCCN1CCN(CC1)C)[N+](=O)[O-]
EC Number:
700-445-7
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.366g/mol
Monoisotopic Mass:
309.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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