ChemSpider 2D Image | N-(2-Iodobenzyl)-N-isopropyl-L-alaninamide | C13H19IN2O

N-(2-Iodobenzyl)-N-isopropyl-L-alaninamide

  • Molecular FormulaC13H19IN2O
  • Average mass346.207 Da
  • Monoisotopic mass346.054199 Da
  • ChemSpider ID28301913

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-(2-Iodbenzyl)-N-isopropyl-L-alaninamid [German] [ACD/IUPAC Name]
N-(2-Iodobenzyl)-N-isopropyl-L-alaninamide [ACD/IUPAC Name]
N-(2-Iodobenzyl)-N-isopropyl-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[(2-iodophenyl)methyl]-N-(1-methylethyl)-, (2S)- [ACD/Index Name]
(2S)-2-AMINO-N-[(2-IODOPHENYL)METHYL]-N-(PROPAN-2-YL)PROPANAMIDE
(2S)-2-AMINO-N-[(2-IODOPHENYL)METHYL]-N-ISOPROPYLPROPANAMIDE
(S)-2-Amino-N-(2-iodobenzyl)-N-isopropylpropanamide
(S)-2-Amino-N-(2-iodobenzyl)-N-isopropyl-propionamide
(S)-2-Amino-N-(2-iodo-benzyl)-N-isopropyl-propionamide
1353996-51-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 416.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.5±25.9 °C
Index of Refraction: 1.586
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 3.76
ACD/KOC (pH 7.4): 53.91
Polar Surface Area: 46 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

Click to predict properties on the Chemicalize site


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