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142225-69-2 | 2-Pyridinamine, N-21-docosen-1-yl-5-nitro-
CAS No: 142225-69-2 Catalog No: AG001I0D MDL No:
Product Description
Catalog Number:
AG001I0D
Chemical Name:
2-Pyridinamine, N-21-docosen-1-yl-5-nitro-
CAS Number:
142225-69-2
Molecular Formula:
C27H47N3O2
Molecular Weight:
445.6810
IUPAC Name:
N-docos-21-enyl-5-nitropyridin-2-amine
InChI:
InChI=1S/C27H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-27-23-22-26(25-29-27)30(31)32/h2,22-23,25H,1,3-21,24H2,(H,28,29)
InChI Key:
FUPMCWKVTLEAGW-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCCCCCCCCCCCCCNc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.367g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
445.692g/mol
Monoisotopic Mass:
445.367g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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