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Home > Nitro Compounds > 198281-54-8
198281-54-8 | Piperazine, 1-methyl-4-[(3-nitrophenyl)methyl]-
CAS No: 198281-54-8 Catalog No: AG002BEU MDL No:MFCD01466619
Product Description
Catalog Number:
AG002BEU
Chemical Name:
Piperazine, 1-methyl-4-[(3-nitrophenyl)methyl]-
CAS Number:
198281-54-8
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD01466619
IUPAC Name:
1-methyl-4-[(3-nitrophenyl)methyl]piperazine
InChI:
InChI=1S/C12H17N3O2/c1-13-5-7-14(8-6-13)10-11-3-2-4-12(9-11)15(16)17/h2-4,9H,5-8,10H2,1H3
InChI Key:
QXWROCIDLCOGKL-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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