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117088-74-1 | 2-Pyridinamine, N-docosyl-5-nitro-
CAS No: 117088-74-1 Catalog No: AG000DPC MDL No:
Product Description
Catalog Number:
AG000DPC
Chemical Name:
2-Pyridinamine, N-docosyl-5-nitro-
CAS Number:
117088-74-1
Molecular Formula:
C27H49N3O2
Molecular Weight:
447.6969
IUPAC Name:
N-docosyl-5-nitropyridin-2-amine
InChI:
InChI=1S/C27H49N3O2/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/h22-23,25H,2-21,24H2,1H3,(H,28,29)
InChI Key:
BAHKMVDPGSUEIC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCNc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.382g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.708g/mol
Monoisotopic Mass:
447.382g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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