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Home > Nitro Compounds > 175134-93-7
175134-93-7 | 1-Piperazineethanol, 4-[(4-nitrophenyl)methyl]-
CAS No: 175134-93-7 Catalog No: AG002056 MDL No:MFCD00203972
Product Description
Catalog Number:
AG002056
Chemical Name:
1-Piperazineethanol, 4-[(4-nitrophenyl)methyl]-
CAS Number:
175134-93-7
Molecular Formula:
C13H19N3O3
Molecular Weight:
265.3083
MDL Number:
MFCD00203972
IUPAC Name:
2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethanol
InChI:
InChI=1S/C13H19N3O3/c17-10-9-14-5-7-15(8-6-14)11-12-1-3-13(4-2-12)16(18)19/h1-4,17H,5-11H2
InChI Key:
JEJMPSCCDHCPIT-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.313g/mol
Monoisotopic Mass:
265.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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