3-Methyl-L-phenylalanine

Base Information

• Chemical Name: 3-Methyl-L-phenylalanine
• CAS No.: 114926-37-3
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.22
• Hs Code.: 2922499990
• UNII: Y3C5V2444R
• DSSTox Substance ID: DTXSID30921552
• Nikkaji Number: J829.108J
• Wikidata: Q27093635
• ChEMBL ID: CHEMBL1231013
• Mol file: 114926-37-3.mol

Synonyms:3-Methyl-L-phenylalanine;114926-37-3;L-3-Methylphenylalanine;3-METHYLPHENYLALANINE;3-Methy-L-Phenylalanine;(S)-2-amino-3-m-tolylpropanoic acid;(2S)-2-amino-3-(3-methylphenyl)propanoic acid;(S)-2-Amino-3-(m-tolyl)propanoic acid;Phenylalanine, 3-methyl-;L-Phenylalanine, 3-methyl-;(2S)-2-azaniumyl-3-(3-methylphenyl)propanoate;Y3C5V2444R;D-3-Methylphenylalanine;3-?Methylphenylalanine;DL-3-METHYLPHENYLALANINE;m-Methylphenylalanin;b-(m-tolyl)alanine;L-3-Methyl Phenylalanine;(S)-3-methylphenylalanine;SCHEMBL42907;UNII-Y3C5V2444R;CHEMBL1231013;DTXSID30921552;JZRBSTONIYRNRI-VIFPVBQESA-N;BCP11706;MFCD00044972;AKOS012010391;AKOS015842500;AC-9921;AM83418;CS-W017262;DB02685;HY-W016546;AS-12892;PD007762;A5377;A13010;EN300-199909;F16402;J-003159;Q27093635;Z995228122

Chemical Property of 3-Methyl-L-phenylalanine

Chemical Property:

• Vapor Pressure: 0.000112mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 322.8 °C at 760 mmHg
• PKA: 2.22±0.10(Predicted)
• Flash Point: 149 °C
• PSA: 63.32000
• Density: 1.165 g/cm³
• LogP: 1.64970
• Storage Temp.: Store at -15°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methyl-L-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)CC(C(=O)O)N
• Isomeric SMILES: CC1=CC(=CC=C1)C[C@@H](C(=O)O)N
• Uses: It finds its application in the identification of N-acyl 4-(5-pyrimidine-2,4-dionyl)phenylalanine derivatives and their orally active prodrug esters as dual-acting alpha4-beta1 and alpha4-beta7 receptor antagonists.