Boc-3-bromo-D-phenylalanine

Base Information

• Chemical Name: Boc-3-bromo-D-phenylalanine
• CAS No.: 261360-77-4
• Molecular Formula: C14H18BrNO4
• Molecular Weight: 344.205
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00426509
• Wikidata: Q72448754
• Mol file: 261360-77-4.mol

Synonyms:261360-77-4;Boc-3-bromo-D-phenylalanine;(r)-n-boc-3-bromophenylalanine;(R)-3-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid;Boc-D-3-Bromophenylalanine;(2R)-3-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;D-Phenylalanine, 3-bromo-N-[(1,1-dimethylethoxy)carbonyl]-;(R)-3-(3-BROMOPHENYL)-2-(TERT-BUTOXYCARBONYLAMINO)PROPANOIC ACID;BOC-D-3-BR-PHE-OH;MFCD01317704;SCHEMBL3553426;DTXSID00426509;FBUDYESOPLBQIR-LLVKDONJSA-N;HY-Z0790;ZB0966;AKOS015836546;AC-5855;AM82712;AS-37065;PD197346;CS-0043624;N-tert-Butoxycarbonyl-D-3-Bromo Phenylalanine;EN300-3414682;A818203;Q-101732;Boc-3-bromo-D-phenylalanine (Boc-D-Phe(3-Br)-OH);3-bromo-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine;(R)-3-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoicacid;(2R)-3-(3-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid;3-(3-bromophenyl)-2-(tert-butoxycarbonylamino)propanoic acid;(R)-N-BOC-3-BROMO-BETA-PHENYLALANINE

Chemical Property of Boc-3-bromo-D-phenylalanine

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 7.71E-10mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 475.3 °C at 760 mmHg
• PKA: 3.81±0.10(Predicted)
• Flash Point: 241.2 °C
• PSA: 75.63000
• Density: 1.405 g/cm³
• LogP: 3.36040
• Storage Temp.: Store at 0°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 343.04192
• Heavy Atom Count: 20
• Complexity: 354

Purity/Quality:

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

Boc-3-bromo-D-phenylalanine ^*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=CC(=CC=C1)Br)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC(=CC=C1)Br)C(=O)O