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Home > Nitro Compounds > 158399-79-2
158399-79-2 | 1-(3-methoxyphenyl)-4-(5-nitropyridin-2-yl)piperazine
CAS No: 158399-79-2 Catalog No: AG00ISLO MDL No:MFCD01310140
Product Description
Catalog Number:
AG00ISLO
Chemical Name:
1-(3-methoxyphenyl)-4-(5-nitropyridin-2-yl)piperazine
CAS Number:
158399-79-2
Molecular Formula:
C16H18N4O3
Molecular Weight:
314.3391
MDL Number:
MFCD01310140
IUPAC Name:
1-(3-methoxyphenyl)-4-(5-nitropyridin-2-yl)piperazine
InChI:
InChI=1S/C16H18N4O3/c1-23-15-4-2-3-13(11-15)18-7-9-19(10-8-18)16-6-5-14(12-17-16)20(21)22/h2-6,11-12H,7-10H2,1H3
InChI Key:
CAFRYYWOTKPYMX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.138g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.345g/mol
Monoisotopic Mass:
314.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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