| CAS Number | 1177343-49-5 |
| Catalog Number | AG00J3GD(AGN-PC-0WB43R) |
| Chemical Name | N-(4-methylphenyl)-2-phenylalanine |
| IUPAC Name | 2-(4-methylanilino)-2-phenylpropanoic acid |
| InChI | InChI=1S/C16H17NO2/c1-12-8-10-14(11-9-12)17-16(2,15(18)19)13-6-4-3-5-7-13/h3-11,17H,1-2H3,(H,18,19) |
| InChI Key | DTCCVTNIHHMKCU-UHFFFAOYSA-N |
| MDL Number | MFCD05229047 |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.3117 |
| SMILES | C(C)(C1C=CC=CC=1)(NC1C=CC(=CC=1)C)C(O)=O |
| Synonyms | N-(4-methylphenyl)-2-phenylalanine,
1177343-49-5,
ZX-CM014655,
MFCD05229047,
AKOS005797030,
IMED727883953,
Y-1686,
4140260-25G,
4140260-50G,
4140260-100G,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.317g/mol |
| Monoisotopic Mass | 255.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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