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1258620-59-5 | 4-Pyridinamine, 3-[2-(phenylmethoxy)phenyl]-
CAS No: 1258620-59-5 Catalog No: AG000OV5 MDL No:
Product Description
Catalog Number:
AG000OV5
Chemical Name:
4-Pyridinamine, 3-[2-(phenylmethoxy)phenyl]-
CAS Number:
1258620-59-5
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
3-(2-phenylmethoxyphenyl)pyridin-4-amine
InChI:
InChI=1S/C18H16N2O/c19-17-10-11-20-12-16(17)15-8-4-5-9-18(15)21-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,19,20)
InChI Key:
NCOWFFBKEPIVNN-UHFFFAOYSA-N
SMILES:
Nc1ccncc1c1ccccc1OCc1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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