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Home > Nitro Compounds > 400088-99-5
400088-99-5 | 1-(2,4-dimethylphenyl)-4-(5-nitropyridin-2-yl)piperazine
CAS No: 400088-99-5 Catalog No: AG00IRBS MDL No:MFCD01936547
Product Description
Catalog Number:
AG00IRBS
Chemical Name:
1-(2,4-dimethylphenyl)-4-(5-nitropyridin-2-yl)piperazine
CAS Number:
400088-99-5
Molecular Formula:
C17H20N4O2
Molecular Weight:
312.3663
MDL Number:
MFCD01936547
IUPAC Name:
1-(2,4-dimethylphenyl)-4-(5-nitropyridin-2-yl)piperazine
InChI:
InChI=1S/C17H20N4O2/c1-13-3-5-16(14(2)11-13)19-7-9-20(10-8-19)17-6-4-15(12-18-17)21(22)23/h3-6,11-12H,7-10H2,1-2H3
InChI Key:
HVXOAYNYVSNXGU-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)N1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.373g/mol
Monoisotopic Mass:
312.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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