ChemSpider 2D Image | 1-Cyano-2-[(3S,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-(2-methyl-2-butanyl)guanidine | C19H25N5O2

1-Cyano-2-[(3S,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-(2-methyl-2-butanyl)guanidine

  • Molecular FormulaC19H25N5O2
  • Average mass355.434 Da
  • Monoisotopic mass355.200836 Da
  • ChemSpider ID128926807

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Cyan-2-[(3S,4S)-6-cyan-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-(2-methyl-2-butanyl)guanidin [German] [ACD/IUPAC Name]
1-Cyano-2-[(3S,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-(2-methyl-2-butanyl)guanidine [ACD/IUPAC Name]
1-Cyano-2-[(3S,4S)-6-cyano-3-hydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-4-yl]-3-(2-méthyl-2-butanyl)guanidine [French] [ACD/IUPAC Name]
Guanidine, N-cyano-N''-[(3S,4S)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N'-(1,1-dimethylpropyl)- [ACD/Index Name]
134017-78-0 [RN]
u89232

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

Density: 1.2±0.1 g/cm3
Boiling Point: 492.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 251.5±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.10
ACD/KOC (pH 5.5): 444.39
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.11
ACD/KOC (pH 7.4): 444.44
Polar Surface Area: 113 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 299.2±7.0 cm3

Click to predict properties on the Chemicalize site


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