N-[(tert-Butoxy)carbonyl]-3-methyl-L-histidine

Base Information

• Chemical Name: N-[(tert-Butoxy)carbonyl]-3-methyl-L-histidine
• CAS No.: 61070-22-2
• Molecular Formula: C12H19N3O4
• Molecular Weight: 269.301
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90427020
• Wikidata: Q72510294
• Mol file: 61070-22-2.mol

Synonyms:(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propionicacid;Boc-His(Nτ-Me)-OH;

Chemical Property of N-[(tert-Butoxy)carbonyl]-3-methyl-L-histidine

Chemical Property:

• Appearance/Colour: pale beige powder
• Vapor Pressure: 6.61E-11mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 502.2 °C at 760 mmHg
• Flash Point: 257.5 °C
• PSA: 93.45000
• Density: 1.23 g/cm³
• LogP: 1.33140
• Storage Temp.: -15°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 269.13755610
• Heavy Atom Count: 19
• Complexity: 340

Purity/Quality:

98%Min ^*data from raw suppliers

Boc-L-His(3-Me)-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CN=CN1C)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1C)C(=O)O