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261165-02-0

Basic Information
CAS No.: 261165-02-0
Name: (S)-N-BOC-2-Bromophenylalanine
Molecular Structure:
Molecular Structure of 261165-02-0 ((S)-N-BOC-2-Bromophenylalanine)
Formula: C14H18BrNO4
Molecular Weight: 344.205
Synonyms: N-tert-Butoxycarbonyl-2-bromophenyl-L-alanine;
Density: 1.405 g/cm3
Melting Point: 142.1 °C
Boiling Point: 471.3 °C at 760 mmHg
Flash Point: 238.8 °C
Appearance: pale yellow crystalline powder
Safety: 24/25
PSA: 75.63000
LogP: 3.36040
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Chemistry

Product Name: (S)-N-Boc-2-Bromophenylalanine (CAS NO.261165-02-0)

Molecular Formula: C14H18BrNO4
Molecular Weight: 344.2g/mol
Mol File: 261165-02-0.mol
Appearance: pale yellow crystalline powder
Melting Point: 142.1 °C
Boiling point: 471.3 °C at 760 mmHg
Flash Point: 238.8 °C
Density: 1.405 g/cm3
Surface Tension: 46.7 dyne/cm
Enthalpy of Vaporization: 77.33 kJ/mol
Vapour Pressure: 1.1E-09 mmHg at 25°C
XLogP3-AA: 3.2
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of L-Phenylalanine,2-bromo-N-[(1,1-dimethylethoxy)carbonyl]- (CAS NO.261165-02-0):
  IUPAC Name: (2S)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
  Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1Br)C(=O)O
  Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1Br)C(=O)O
  InChI: InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1 
  InChIKey: XDJSTMCSOXSTGZ-NSHDSACASA-N
Product Categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; a-amino

Safety Profile

Safety Information of (S)-N-Boc-2-Bromophenylalanine (CAS NO.261165-02-0):
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
HazardClass: IRRITANT

Specification

 (S)-N-Boc-2-Bromophenylalanine , its CAS NO. is 261165-02-0, the synonym is  (2S)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid .