Found 1 result

Search term: AEJFWHRDKIKKDQ-SECBINFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R)-1-[4-(5-Pyrimidinyl)phenyl]ethanamine | C12H13N3

(1R)-1-[4-(5-Pyrimidinyl)phenyl]ethanamine

  • Molecular FormulaC12H13N3
  • Average mass199.252 Da
  • Monoisotopic mass199.110947 Da
  • ChemSpider ID32937245

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-[4-(5-Pyrimidinyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
(1R)-1-[4-(5-Pyrimidinyl)phenyl]ethanamine [ACD/IUPAC Name]
(1R)-1-[4-(5-Pyrimidinyl)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-methyl-4-(5-pyrimidinyl)-, (αR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 360.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 199.4±13.1 °C
Index of Refraction: 1.589
Molar Refractivity: 60.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.93
Polar Surface Area: 52 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 178.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement