ChemSpider 2D Image | (1Z)-N-[(3Z)-3-(Heptylimino)-3-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanimidic acid | C16H32N2O4

(1Z)-N-[(3Z)-3-(Heptylimino)-3-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanimidic acid

  • Molecular FormulaC16H32N2O4
  • Average mass316.436 Da
  • Monoisotopic mass316.236206 Da
  • ChemSpider ID58837311

More details:

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

(1Z)-N-[(3Z)-3-(Heptylimino)-3-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanimidic acid [ACD/IUPAC Name]
(1Z)-N-[(3Z)-3-(Heptylimino)-3-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanimidsäure [German] [ACD/IUPAC Name]
Acide (1Z)-N-[(3Z)-3-(heptylimino)-3-hydroxypropyl]-2,4-dihydroxy-3,3-diméthylbutanimidique [French] [ACD/IUPAC Name]
Butanimidic acid, N-[(3Z)-3-(heptylimino)-3-hydroxypropyl]-2,4-dihydroxy-3,3-dimethyl-, (1Z)- [ACD/Index Name]
N-heptylpantothenamide
N7-Pan

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 534.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 359.5±22.1 °C
Index of Refraction: 1.500
Molar Refractivity: 85.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.23
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.36
Polar Surface Area: 106 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 291.5±7.0 cm3

Click to predict properties on the Chemicalize site


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