ChemSpider 2D Image | 1-Cyano-2-[(2R)-3,3-dimethyl-2-butanyl]-3-(3-pyridinyl)guanidine | C13H19N5

1-Cyano-2-[(2R)-3,3-dimethyl-2-butanyl]-3-(3-pyridinyl)guanidine

  • Molecular FormulaC13H19N5
  • Average mass245.324 Da
  • Monoisotopic mass245.164047 Da
  • ChemSpider ID28941838

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

131815-93-5 [RN]
1-Cyan-2-[(2R)-3,3-dimethyl-2-butanyl]-3-(3-pyridinyl)guanidin [German] [ACD/IUPAC Name]
1-Cyano-2-[(2R)-3,3-dimethyl-2-butanyl]-3-(3-pyridinyl)guanidine [ACD/IUPAC Name]
1-Cyano-2-[(2R)-3,3-diméthyl-2-butanyl]-3-(3-pyridinyl)guanidine [French] [ACD/IUPAC Name]
Guanidine, N-cyano-N'-3-pyridinyl-N''-[(1R)-1,2,2-trimethylpropyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL2114145/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 356.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 169.5±25.7 °C
Index of Refraction: 1.552
Molar Refractivity: 73.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 11.87
ACD/KOC (pH 5.5): 187.06
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.19
ACD/KOC (pH 7.4): 255.03
Polar Surface Area: 73 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 230.9±7.0 cm3

Click to predict properties on the Chemicalize site


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