Product Name

  • Name

    (S)-N-BOC-3-Chlorophenylalanine

  • EINECS
  • CAS No. 114873-03-9
  • Article Data2
  • CAS DataBase
  • Density 1.245
  • Solubility
  • Melting Point 110 ºC
  • Formula C14H18 Cl N O4
  • Boiling Point 452.5°Cat760mmHg
  • Molecular Weight 299.754
  • Flash Point 227.5°C
  • Transport Information
  • Appearance
  • Safety S22;S24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 114873-03-9 ((S)-N-BOC-3-Chlorophenylalanine)
  • Hazard Symbols
  • Synonyms (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(3-chlorophenyl)propionicacid; (S)-2-[(tert-Butoxycarbonyl)amino]-3-(3-chlorophenyl)propionic acid
  • PSA 75.63000
  • LogP 3.25130

(S)-N-Boc-3-Chlorophenylalanine Chemical Properties

Molecular Formula: C14H18ClNO4
Molar mass: 299.75 g/mol
Density: 1.245 g/cm3
Flash Point: 227.5 °C
Index of Refraction: 1.538
Boiling Point: 452.5 °C at 760 mmHg
Vapour Pressure: 5.61E-09 mmHg at 25°C
Melting point: 110°C
Storage temp: Store at 0°C
Structure of Boc-l-3-Chlorophenylalanine (114873-03-9):
          
XLogP3-AA: 3.1 
H-Bond Donor: 2
H-Bond Acceptor: 4
IUPAC Name: (2S)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]
propanoic acid
Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)Cl)C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)Cl)C(=O)O
InChI: InChI=1S/C14H18ClNO4/c1-14(2,
3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,
19)(H,17,18)/t11-/m0/s1 
InChIKey: RCZHBTHQISEPPP-NSHDSACASA-N
Product categories of Boc-l-3-Chlorophenylalanine (114873-03-9): Phenylalanine analogs and other aromatic alpha amino acids;Amino Acid Derivatives;Peptide;Unusual Amino Acids

(S)-N-Boc-3-Chlorophenylalanine Safety Profile

Hazard Codes: Xi
Safety Statements:
22:  Do not breathe dust
24:  Avoid contact with skin
25:  Avoid contact with eyes

(S)-N-Boc-3-Chlorophenylalanine Specification

 Boc-l-3-Chlorophenylalanine (114873-03-9) is unnatural amino acid which also can be called for 3-Chloro-n-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-phenylalanine ; L-phenylalanine, 3-chloro-n-[(1,1-dimethylethoxy)carbonyl]- ;Boc-d-3-chlorophenylalanine ; 3-(3-Chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid .

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