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1258610-34-2 | 4-Pyridinamine, 3-(3,5-dimethoxyphenyl)-
CAS No: 1258610-34-2 Catalog No: AG000OVB MDL No:
Product Description
Catalog Number:
AG000OVB
Chemical Name:
4-Pyridinamine, 3-(3,5-dimethoxyphenyl)-
CAS Number:
1258610-34-2
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
3-(3,5-dimethoxyphenyl)pyridin-4-amine
InChI:
InChI=1S/C13H14N2O2/c1-16-10-5-9(6-11(7-10)17-2)12-8-15-4-3-13(12)14/h3-8H,1-2H3,(H2,14,15)
InChI Key:
YQHXYCCTHXBOIR-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)c1cnccc1N
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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