| CAS Number | 117755-94-9 |
| Catalog Number | AG0077EC(AGN-PC-0WB43O) |
| Chemical Name | 2-Methyl-N-(4-methylphenyl)alanine |
| IUPAC Name | 2-methyl-2-(4-methylanilino)propanoic acid |
| InChI | InChI=1S/C11H15NO2/c1-8-4-6-9(7-5-8)12-11(2,3)10(13)14/h4-7,12H,1-3H3,(H,13,14) |
| InChI Key | SDRDMLFVFFTPAW-UHFFFAOYSA-N |
| MDL Number | MFCD05229112 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CC(C(=O)O)(C)NC1=CC=C(C=C1)C |
| Synonyms | 117755-94-9,
2-METHYL-N-(4-METHYLPHENYL)ALANINE,
2-methyl-N-p-tolylAlanine,
SCHEMBL19707372,
CTK4B0428,
DTXSID10589755,
CHEMBRDG-BB 4140259,
ZINC8702850,
MFCD05229112,
AKOS000102584,
2-Methyl-2-p-tolylamino-propionic acid,
2-Methyl-2-(p-tolylamino)propanoic acid,
DB-061053,
BB 0241749,
FT-0707013,
Y-1687,
2-Methyl-N-(4-Methylphenyl)alanine, AldrichCPR,
2-methyl-2-[(4-methylphenyl)amino]propanoic acid,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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