ChemSpider 2D Image | N-[(1r,3r,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethanediamine | C22H38N2

N-[(1r,3r,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethanediamine

  • Molecular FormulaC22H38N2
  • Average mass330.551 Da
  • Monoisotopic mass330.303497 Da
  • ChemSpider ID25069702

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1,2-Ethanediamine, N1-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-N2-tricyclo[3.3.1.13,7]dec-2-yl- [ACD/Index Name]
N-[(1r,3r,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethandiamin [German] [ACD/IUPAC Name]
N-[(1r,3r,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethanediamine [ACD/IUPAC Name]
N-[(1r,3r,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-1,2-éthanediamine [French] [ACD/IUPAC Name]
(E)-N1-(ADAMANTAN-2-YL)-N2-(3,7-DIMETHYLOCTA-2,6-DIEN-1-YL)ETHANE-1,2-DIAMINE
[(2E)-3,7-dimethylocta-2,6-dien-1-yl](2-{[(1r,3r,5r,7r)-adamantan-2-yl]amino}ethyl)amine
502487-67-4 [RN]
NSC 722041
NSC 722041;SQ-109;SQ 109
NSC-722041
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SQ-109 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 450.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 257.7±17.2 °C
Index of Refraction: 1.529
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 3.31
ACD/KOC (pH 5.5): 8.06
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 49.83
ACD/KOC (pH 7.4): 121.19
Polar Surface Area: 24 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 338.2±5.0 cm3

Click to predict properties on the Chemicalize site


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