ChemSpider 2D Image | (3Z)-3-Hexen-1-yl 2-amino-5-iodobenzoate | C13H16INO2

(3Z)-3-Hexen-1-yl 2-amino-5-iodobenzoate

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID23959961
  • Double-bond stereo - Double-bond stereo


More details:






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

(3Z)-3-Hexen-1-yl 2-amino-5-iodobenzoate [ACD/IUPAC Name]
(3Z)-3-Hexen-1-yl-2-amino-5-iodbenzoat [German] [ACD/IUPAC Name]
2-Amino-5-iodobenzoate de (3Z)-3-hexén-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-amino-5-iodo-, (3Z)-3-hexen-1-yl ester [ACD/Index Name]
(3Z)hex-3-enyl 2-amino-5-iodobenzoate
(Z)-Hex-3-en-1-yl 2-amino-5-iodobenzoate
(Z)-hex-3-enyl 2-amino-5-iodobenzoate
(z)-hex-3-enyl2-amino-5-iodobenzoate
1131605-46-3 [RN]
MFCD11112872 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 411.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.4±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1368.66
ACD/KOC (pH 5.5): 6116.91
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1368.94
ACD/KOC (pH 7.4): 6118.18
Polar Surface Area: 52 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 227.8±3.0 cm3

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