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Home > Pyridines > 1246912-24-2
1246912-24-2 | L-Phenylalanine, 4-(2,3-dimethyl-4-pyridinyl)-, methyl ester
CAS No: 1246912-24-2 Catalog No: AG000MMQ MDL No:
Product Description
Catalog Number:
AG000MMQ
Chemical Name:
L-Phenylalanine, 4-(2,3-dimethyl-4-pyridinyl)-, methyl ester
CAS Number:
1246912-24-2
Molecular Formula:
C17H20N2O2
Molecular Weight:
284.3529
IUPAC Name:
methyl (2S)-2-amino-3-[4-(2,3-dimethylpyridin-4-yl)phenyl]propanoate
InChI:
InChI=1S/C17H20N2O2/c1-11-12(2)19-9-8-15(11)14-6-4-13(5-7-14)10-16(18)17(20)21-3/h4-9,16H,10,18H2,1-3H3/t16-/m0/s1
InChI Key:
KHONQNXQXZDOFB-INIZCTEOSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)c1ccnc(c1C)C)N
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
284.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.359g/mol
Monoisotopic Mass:
284.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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