ChemSpider 2D Image | Methyl-alpha-butylphenylalaninat | C14H21NO2

Methyl-α-butylphenylalaninat

  • Molecular FormulaC14H21NO2
  • Average mass235.322 Da
  • Monoisotopic mass235.157227 Da
  • ChemSpider ID23078056

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Methyl α-butylphenylalaninate [ACD/IUPAC Name]
Methyl-α-butylphenylalaninat
Methyl-α-butylphenylalaninat [German] [ACD/IUPAC Name]
Phenylalanine, α-butyl-, methyl ester [ACD/Index Name]
α-Butylphénylalaninate de méthyle [French] [ACD/IUPAC Name]
2-amino-2-(phenylmethyl)hexanoic acid methyl ester
2-Amino-2-benzylhexanoic acid methyl ester
2-AMINO-2-BENZYL-HEXANOIC ACID METHYL ESTER
2-amino-2-benzyl-hexanoicacidmethylester
853303-77-2 [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-39694]
    • Safety:

      20/21/22 Novochemy [NC-39694]
      20/21/36/37/39 Novochemy [NC-39694]
      GHS07; GHS09 Novochemy [NC-39694]
      H332; H403 Novochemy [NC-39694]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-39694]
      Warning Novochemy [NC-39694]
      Xn Novochemy [NC-39694]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 325.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 175.7±19.9 °C
Index of Refraction: 1.515
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 29.15
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 57.15
ACD/KOC (pH 7.4): 581.25
Polar Surface Area: 52 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 228.5±3.0 cm3

Click to predict properties on the Chemicalize site






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