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1436852-95-7 | 3-Pyridinecarboxylic acid, 4-[[(2,4-dimethoxyphenyl)methyl]amino]-, methyl ester
CAS No: 1436852-95-7 Catalog No: AG001I67 MDL No:
Product Description
Catalog Number:
AG001I67
Chemical Name:
3-Pyridinecarboxylic acid, 4-[[(2,4-dimethoxyphenyl)methyl]amino]-, methyl ester
CAS Number:
1436852-95-7
Molecular Formula:
C16H18N2O4
Molecular Weight:
302.3251
IUPAC Name:
methyl 4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
InChI:
InChI=1S/C16H18N2O4/c1-20-12-5-4-11(15(8-12)21-2)9-18-14-6-7-17-10-13(14)16(19)22-3/h4-8,10H,9H2,1-3H3,(H,17,18)
InChI Key:
DRQPHWVAWZTMGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)CNc1ccncc1C(=O)OC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.33g/mol
Monoisotopic Mass:
302.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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