ChemSpider 2D Image | (1,3-Butadiyne-1,4-diyldi-3,1-phenylene)bis({4-[3-(aminomethyl)phenyl]-1-piperidinyl}methanone) | C42H42N4O2

(1,3-Butadiyne-1,4-diyldi-3,1-phenylene)bis({4-[3-(aminomethyl)phenyl]-1-piperidinyl}methanone)

  • Molecular FormulaC42H42N4O2
  • Average mass634.808 Da
  • Monoisotopic mass634.330750 Da
  • ChemSpider ID8049781

More details:

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

(1,3-Butadiin-1,4-diyldi-3,1-phenylen)bis({4-[3-(aminomethyl)phenyl]-1-piperidinyl}methanon) [German] [ACD/IUPAC Name]
(1,3-Butadiyne-1,4-diyldi-3,1-phenylene)bis({4-[3-(aminomethyl)phenyl]-1-piperidinyl}methanone) [ACD/IUPAC Name]
(1,3-Butadiyne-1,4-diyldi-3,1-phénylène)bis({4-[3-(aminométhyl)phényl]-1-pipéridinyl}méthanone) [French] [ACD/IUPAC Name]
Methanone, 1,1'-(1,3-butadiyne-1,4-diyldi-3,1-phenylene)bis[1-[4-[3-(aminomethyl)phenyl]-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 862.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 475.3±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 191.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 6.40
Polar Surface Area: 93 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 500.7±5.0 cm3

Click to predict properties on the Chemicalize site


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