N-Boc-4-Methyl-L-phenylalanine

Base Information

• Chemical Name: N-Boc-4-Methyl-L-phenylalanine
• CAS No.: 80102-26-7
• Molecular Formula: C₁₅H₂₁NO₄
• Molecular Weight: 279.336
• Hs Code.: 2924299090
• European Community (EC) Number: 849-042-9
• DSSTox Substance ID: DTXSID50375790
• Nikkaji Number: J499.100A
• Wikidata: Q72449983
• Mol file: 80102-26-7.mol

Synonyms:80102-26-7;N-Boc-4-Methyl-L-phenylalanine;Boc-4-methyl-L-phenylalanine;Boc-Phe(4-Me)-OH;Boc-L-4-Methylphe;Boc-L-4-Methylphenylalanine;BOC-4-METHY-L-PHENYLALANINE;(2S)-3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(S)-2-((tert-butoxycarbonyl)amino)-3-(p-tolyl)propanoic acid;L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-methyl-;MFCD01317027;(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid;Boc-4-Methyl-L-Phe-OH;SCHEMBL25672;DTXSID50375790;JYRWNPUFECDJCX-LBPRGKRZSA-N;AM9453;AKOS015890221;AC-9928;CS-W012284;DS-16139;Boc-Phe(4-Me)-OH, >=98.0% (TLC);A50149;EN300-1589944;A839836;N-TERT-BUTOXYCARBONYL-L-4-METHYL PHENYLALANINE;(S)-2-TERT-BUTOXYCARBONYLAMINO-3-P-TOLYL-PROPIONIC ACID;(S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-P-TOLYLPROPANOIC ACID

Chemical Property of N-Boc-4-Methyl-L-phenylalanine

Chemical Property:

• Vapor Pressure: 1.56E-08mmHg at 25°C
• Melting Point: 84-88 °C
• Refractive Index: 1.526
• Boiling Point: 440.4 °C at 760 mmHg
• PKA: 3.92±0.10(Predicted)
• Flash Point: 220.2 °C
• PSA: 75.63000
• Density: 1.14 g/cm³
• LogP: 2.90630
• Storage Temp.: Store at RT.
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 279.14705815
• Heavy Atom Count: 20
• Complexity: 340

Purity/Quality:

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

Boc-4-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=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C