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1135400-24-6 | Benzenepropanoic acid, β-(2-pyridinylamino)-
CAS No: 1135400-24-6 Catalog No: AG0008XJ MDL No:MFCD21092072
Product Description
Catalog Number:
AG0008XJ
Chemical Name:
Benzenepropanoic acid, β-(2-pyridinylamino)-
CAS Number:
1135400-24-6
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
MDL Number:
MFCD21092072
IUPAC Name:
3-phenyl-3-(pyridin-2-ylamino)propanoic acid
InChI:
InChI=1S/C14H14N2O2/c17-14(18)10-12(11-6-2-1-3-7-11)16-13-8-4-5-9-15-13/h1-9,12H,10H2,(H,15,16)(H,17,18)
InChI Key:
BMERVCBNHVDTAS-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1)Nc1ccccn1
Properties
Complexity:
265
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:
5
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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