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Home > Nitro Compounds > 839722-32-6
839722-32-6 | 1-Piperazinecarboxamide, 4-(3-nitro-2-pyridinyl)-N-(2-phenylethyl)-
CAS No: 839722-32-6 Catalog No: AG004UAK MDL No:
Product Description
Catalog Number:
AG004UAK
Chemical Name:
1-Piperazinecarboxamide, 4-(3-nitro-2-pyridinyl)-N-(2-phenylethyl)-
CAS Number:
839722-32-6
Molecular Formula:
C18H21N5O3
Molecular Weight:
355.3910
IUPAC Name:
4-(3-nitropyridin-2-yl)-N-(2-phenylethyl)piperazine-1-carboxamide
InChI:
InChI=1S/C18H21N5O3/c24-18(20-10-8-15-5-2-1-3-6-15)22-13-11-21(12-14-22)17-16(23(25)26)7-4-9-19-17/h1-7,9H,8,10-14H2,(H,20,24)
InChI Key:
ZIENNDUKIZODCO-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncccc1[N+](=O)[O-])NCCc1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.164g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.398g/mol
Monoisotopic Mass:
355.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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