ChemSpider 2D Image | 636498 | C7H6N2

636498

  • Molecular FormulaC7H6N2
  • Average mass118.136 Da
  • Monoisotopic mass118.053101 Da
  • ChemSpider ID21111842

More details:






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

218-800-5 [EINECS]
2237-30-1 [RN]
3-Aminobenzolcarbonitril
3-Aminobenzonitril [German] [ACD/IUPAC Name]
3-Aminobenzonitrile [ACD/IUPAC Name]
3-Aminobenzonitrile [French] [ACD/IUPAC Name]
3-cyanoaniline
636498
Benzonitrile, 3-amino- [ACD/Index Name]
[2237-30-1]
More...

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

MFCD00007756 [DBID]
07002_FLUKA [DBID]
15V3CW939X [DBID]
164771_ALDRICH [DBID]
AIDS020235 [DBID]
AIDS-020235 [DBID]
BRN 0636498 [DBID]
CCRIS 4693 [DBID]
NSC 7626 [DBID]
NSC7626 [DBID]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 290.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.9±3.0 kJ/mol
Flash Point: 129.2±19.8 °C
Index of Refraction: 1.590
Molar Refractivity: 34.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.33
ACD/KOC (pH 5.5): 99.28
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 99.47
Polar Surface Area: 50 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 103.5±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement