ChemSpider 2D Image | 1-[(1S,5S)-Adamantan-2-yl]-3-(4-iodophenyl)guanidine | C17H22IN3

1-[(1S,5S)-Adamantan-2-yl]-3-(4-iodophenyl)guanidine

  • Molecular FormulaC17H22IN3
  • Average mass395.281 Da
  • Monoisotopic mass395.085846 Da
  • ChemSpider ID57291149

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-[(1S,5S)-Adamantan-2-yl]-3-(4-iodophenyl)guanidine [ACD/IUPAC Name]
1-[(1S,5S)-Adamantan-2-yl]-3-(4-iodophényl)guanidine [French] [ACD/IUPAC Name]
1-[(1S,5S)-Adamantan-2-yl]-3-(4-iodphenyl)guanidin [German] [ACD/IUPAC Name]
Guanidine, N-(4-iodophenyl)-N'-[(1S,5S)-tricyclo[3.3.1.13,7]dec-2-yl]- [ACD/Index Name]
133985-85-0 [RN]
IPAG

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

Density: 1.8±0.1 g/cm3
Boiling Point: 439.1±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.3±29.3 °C
Index of Refraction: 1.789
Molar Refractivity: 91.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 11.57
ACD/KOC (pH 5.5): 54.26
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 12.30
ACD/KOC (pH 7.4): 57.65
Polar Surface Area: 48 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 216.0±7.0 cm3

Click to predict properties on the Chemicalize site


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