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N-Acetyl-L-tryptophan ethyl ester

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Name

N-Acetyl-L-tryptophan ethyl ester

EINECS 219-190-3
CAS No. 2382-80-1 Density 1.215g/cm3
PSA 71.19000 LogP 2.16910
Solubility 1.47g/L(28 oC) Melting Point 112-114 °C(lit.)

Formula C15H18 N2 O3 Boiling Point 515.1°Cat760mmHg
Molecular Weight 274.32 Flash Point 265.3°C
Transport Information N/A Appearance white to slightly cream crystalline powder
Safety
WGK Germany 3
Risk Codes N/A
Molecular Structure Molecular Structure of 2382-80-1 (AC-TRP-OET) Hazard Symbols N/A
Synonyms

Tryptophan,N-acetyl-, ethyl ester, L- (6CI,7CI,8CI); Ac-Trp-OEt; Acetyl-L-tryptophan ethylester; N-Acetyl-L-tryptophan ethyl ester; N-Acetyltryptophan O-ethyl ester;N-Acetyltryptophan ethyl ester; Na-Acetyl-L-tryptophan ethyl ester

Article Data 12

N-Acetyl-L-tryptophan ethyl ester Chemical Properties

Product Name: N-Acetyl-L-tryptophan ethyl ester (CAS NO.2382-80-1)

Molecular Formula: C15H18N2O3
Molecular Weight: 274.31g/mol
Mol File: 2382-80-1.mol
EINECS: 219-190-3
Appearance: white to slightly cream crystalline powder
Melting Point: 112-114 °C(lit.)
Boiling point: 517.6 °C at 760 mmHg
Storage Temperature: -15°C
Flash Point: 266.8 °C
Density: 1.208 g/cm3
Refractive index: 6.5 ° (C=2, EtOH)
Surface Tension: 49.2 dyne/cm
Enthalpy of Vaporization: 78.99 kJ/mol
Vapour Pressure: 8.12E-11 mmHg at 25°C
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of N-Acetyl-L-tryptophan ethyl ester (CAS NO.2382-80-1):
  IUPAC Name: ethyl (2S)-2-[formyl(methyl)amino]-3-(1H-indol-3-yl)propanoate
  Canonical SMILES: CCOC(=O)C(CC1=CNC2=CC=CC=C21)N(C)C=O
  Isomeric SMILES: CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)N(C)C=O
  InChI: InChI=1S/C15H18N2O3/c1-3-20-15(19)14(17(2)10-18)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9-10,14,16H,3,8H2,1-2H3/t14-/m0/s1 
  InChIKey: LYXGYFZZVMODTB-AWEZNQCLSA-N
Product Categories: Amino Acids Derivatives; Indoles; Amino Acids; Tryptophan [Trp, W]; Amino Acids and Derivatives; Ac-Amino Acids; Amino Acid Ethyl Esters; Amino Acids (C-Protected); Amino Acids (N-Protected); Biochemistry; Tryptophans; Dabsyl Amino Acids; Amino ester

N-Acetyl-L-tryptophan ethyl ester Specification

 N-Acetyl-L-tryptophan ethyl ester , its CAS NO. is 2382-80-1, the synonym  is Ethyl N-acetyl-L-tryptophanate .

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