ChemSpider 2D Image | n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea | C19H27N5O

n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea

  • Molecular FormulaC19H27N5O
  • Average mass341.451 Da
  • Monoisotopic mass341.221558 Da
  • ChemSpider ID65322553

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Acide N-[(3s,5s,7s)-adamantan-1-yl]-N'-(4-carbamimidamidobenzyl)carbamimidique [French] [ACD/IUPAC Name]
Guanidine, N-[4-[[[(1Z)-hydroxy(tricyclo[3.3.1.13,7]dec-1-ylamino)methylene]amino]methyl]phenyl]- [ACD/Index Name]
n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea
N-[(3s,5s,7s)-Adamantan-1-yl]-N'-(4-carbamimidamidobenzyl)carbamimidic acid [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-N'-(4-carbamimidamidobenzyl)carbamimidsäure [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 520.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 268.7±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 234.7±7.0 cm3

Click to predict properties on the Chemicalize site


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