ChemSpider 2D Image | 1-[(3s,5s,7s)-Adamantan-1-yl]-3-(4-carbamimidamidobenzyl)urea | C19H27N5O

1-[(3s,5s,7s)-Adamantan-1-yl]-3-(4-carbamimidamidobenzyl)urea

  • Molecular FormulaC19H27N5O
  • Average mass341.451 Da
  • Monoisotopic mass341.221558 Da
  • ChemSpider ID16743825

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(3s,5s,7s)-Adamantan-1-yl]-3-(4-carbamimidamidobenzyl)harnstoff [German] [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-3-(4-carbamimidamidobenzyl)urea [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-3-(4-carbamimidamidobenzyl)urée [French] [ACD/IUPAC Name]
Urea, N-[[4-[[(Z)-aminoiminomethyl]amino]phenyl]methyl]-N'-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
3-(adamantan-1-yl)-1-[(4-carbamimidamidophenyl)methyl]urea
AB3
AGB
n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.36
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.01
Polar Surface Area: 103 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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