Found 1 result

Search term: MHUPYXJSGAMNFY-QMMMGPOBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-Amino(3-chlorophenyl)acetonitrile | C8H7ClN2

(2R)-Amino(3-chlorophenyl)acetonitrile

  • Molecular FormulaC8H7ClN2
  • Average mass166.608 Da
  • Monoisotopic mass166.029770 Da
  • ChemSpider ID75000777

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-Amino(3-chlorophenyl)acetonitrile [ACD/IUPAC Name]
(2R)-Amino(3-chlorophényl)acétonitrile [French] [ACD/IUPAC Name]
(2R)-Amino(3-chlorphenyl)acetonitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α-amino-3-chloro-, (αR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 266.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 115.0±24.6 °C
Index of Refraction: 1.583
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.70
ACD/KOC (pH 5.5): 100.71
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.52
ACD/KOC (pH 7.4): 118.08
Polar Surface Area: 50 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 132.0±3.0 cm3

Click to predict properties on the Chemicalize site


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