ChemSpider 2D Image | (2-Propyn-1-ylamino)acetonitrile | C5H6N2

(2-Propyn-1-ylamino)acetonitrile

  • Molecular FormulaC5H6N2
  • Average mass94.115 Da
  • Monoisotopic mass94.053101 Da
  • ChemSpider ID24052983

More details:






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

(2-Propin-1-ylamino)acetonitril [German] [ACD/IUPAC Name]
(2-Propyn-1-ylamino)acetonitrile [ACD/IUPAC Name]
(2-Propyn-1-ylamino)acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-(2-propyn-1-ylamino)- [ACD/Index Name]
[(Prop-2-yn-1-yl)amino]acetonitrile
2-[(prop-2-yn-1-yl)amino]acetonitrile
56096-28-7 [RN]
ACETONITRILE, (2-PROPYNYLAMINO)-
MFCD00137987

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 233.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.0±3.0 kJ/mol
Flash Point: 95.1±20.4 °C
Index of Refraction: 1.459
Molar Refractivity: 26.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.53
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.12
Polar Surface Area: 36 Å2
Polarizability: 10.5±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 97.0±3.0 cm3

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