(R)-2-((Tert-butoxycarbonyl)amino)-3-(1H-imidazol-5-YL)propanoate

Base Information

• Chemical Name: (R)-2-((Tert-butoxycarbonyl)amino)-3-(1H-imidazol-5-YL)propanoate
• CAS No.: 50654-94-9
• Molecular Formula: C11H17N3O4
• Molecular Weight: 255.2704
• Hs Code.: 29332900
• DSSTox Substance ID: DTXSID90964889
• Wikidata: Q72510207
• Mol file: 50654-94-9.mol

Synonyms:DTXSID90964889;AKOS015895915;FD21671;(R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-(1H-IMIDAZOL-5-YL)PROPANOATE;2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(1H-imidazol-5-yl)propanoate

Chemical Property of (R)-2-((Tert-butoxycarbonyl)amino)-3-(1H-imidazol-5-YL)propanoate

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 9.89E-12mmHg at 25°C
• Melting Point: 193-197 °C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 522.2 °C at 760 mmHg
• PKA: 3.37±0.10(Predicted)
• Flash Point: 269.6 °C
• PSA: 104.31000
• Density: 1.275 g/cm³
• LogP: 1.32100
• Storage Temp.: Store at 0-5°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 254.11408100
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

N-alpha-Boc-D-histidine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)[O-]
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]
• Uses: Nα-Boc-D-histidine is an N-Boc-protected form of D-Histidine (H456015). D-Histidine is the unnatural, biologically inactive isomer of L-Histidine (H456010). D-histidine is known to inhibit cell division, and is also used by certain types of bacteria (such as Escherichia coli) as a source of L-Histidine.