Boc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid

Base Information

• Chemical Name: Boc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid
• CAS No.: 479064-90-9
• Molecular Formula: C14H18ClNO4
• Molecular Weight: 299.754
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30426613
• Wikidata: Q72447954
• Mol file: 479064-90-9.mol

Synonyms:479064-90-9;Boc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid;(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID;(3S)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)propanoic acid;Boc-(S)-3-Amino-3-(4-chloro-phenyl)-propionic acid;(S)-3-(BOC-AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID;SCHEMBL391917;DTXSID30426613;TQR0343;ZPXVKCUGZBGIBW-NSHDSACASA-N;(S)-Boc-4-chlorophenyl-beta-phe-oh;MFCD03427922;SC1144;(S)-Boc-4-chlorophenyl-|A-Phe-OH;AKOS016842402;CS-W012136;AC-22025;AS-54577;BOC-(S)-BETA-(P-CHLOROPHENYL)ALANINE;EN300-1071556;Boc-(S)-3-Amino-3-(4-chlorophenyl)Propanoic acid;(S)-Boc-4-chloro-beta-Phe-OH, >=98.0% (HPLC);(S)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoic acid;(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(4-chlorophenyl)propanoic acid;(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOICACID

Chemical Property of Boc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid

Chemical Property:

• Vapor Pressure: 4.99E-09mmHg at 25°C
• Refractive Index: 1.538
• Boiling Point: 453.9 °C at 760 mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 228.3 °C
• PSA: 75.63000
• Density: 1.243 g/cm³
• LogP: 3.77140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 299.0924357
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Boc-(S)-3-amino-3-(4-chlorophenyl)propionicAcid ^*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(CC(=O)O)C1=CC=C(C=C1)Cl
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl