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881445-78-9 | 2-METHYL-3-[(2-PYRIDINYLMETHYL)AMINO]BENZOIC ACID
CAS No: 881445-78-9 Catalog No: AG004GD1 MDL No:MFCD08068111
Product Description
Catalog Number:
AG004GD1
Chemical Name:
2-METHYL-3-[(2-PYRIDINYLMETHYL)AMINO]BENZOIC ACID
CAS Number:
881445-78-9
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
MDL Number:
MFCD08068111
IUPAC Name:
2-methyl-3-(pyridin-2-ylmethylamino)benzoic acid
InChI:
InChI=1S/C14H14N2O2/c1-10-12(14(17)18)6-4-7-13(10)16-9-11-5-2-3-8-15-11/h2-8,16H,9H2,1H3,(H,17,18)
InChI Key:
HAUFZEHUDXFIIB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)NCc1ccccn1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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