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Home > Nitro Compounds > 657410-79-2
657410-79-2 | 1-METHYL-4-(6-NITROPYRIDIN-3-YL)PIPERAZINE
CAS No: 657410-79-2 Catalog No: AG00FC1A MDL No:MFCD11520856
Product Description
Catalog Number:
AG00FC1A
Chemical Name:
1-METHYL-4-(6-NITROPYRIDIN-3-YL)PIPERAZINE
CAS Number:
657410-79-2
Molecular Formula:
C10H14N4O2
Molecular Weight:
222.2438
MDL Number:
MFCD11520856
IUPAC Name:
1-methyl-4-(6-nitropyridin-3-yl)piperazine
InChI:
InChI=1S/C10H14N4O2/c1-12-4-6-13(7-5-12)9-2-3-10(11-8-9)14(15)16/h2-3,8H,4-7H2,1H3
InChI Key:
YVQVMPXTKXNMIV-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(nc1)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.248g/mol
Monoisotopic Mass:
222.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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