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74571-56-5 | Piperazine, 1-methyl-4-(2-(5-nitro-1H-imidazol-1-yl)ethyl)-
CAS No: 74571-56-5 Catalog No: AG008PQE MDL No:
Product Description
Catalog Number:
AG008PQE
Chemical Name:
Piperazine, 1-methyl-4-(2-(5-nitro-1H-imidazol-1-yl)ethyl)-
CAS Number:
74571-56-5
Molecular Formula:
C10H17N5O2
Molecular Weight:
239.2743
IUPAC Name:
1-methyl-4-[2-(5-nitroimidazol-1-yl)ethyl]piperazine
InChI:
InChI=1S/C10H17N5O2/c1-12-2-4-13(5-3-12)6-7-14-9-11-8-10(14)15(16)17/h8-9H,2-7H2,1H3
InChI Key:
CGQVBJOXPFPXIU-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCn1cncc1[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.138g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.279g/mol
Monoisotopic Mass:
239.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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