ChemSpider 2D Image | N-{1-[3-(1H-Tetrazol-1-yl)phenyl]ethyl}-2-propen-1-amine | C12H15N5

N-{1-[3-(1H-Tetrazol-1-yl)phenyl]ethyl}-2-propen-1-amine

  • Molecular FormulaC12H15N5
  • Average mass229.281 Da
  • Monoisotopic mass229.132751 Da
  • ChemSpider ID24421569

More details:






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

Benzenemethanamine, α-methyl-N-2-propen-1-yl-3-(1H-tetrazol-1-yl)- [ACD/Index Name]
N-{1-[3-(1H-Tetrazol-1-yl)phenyl]ethyl}-2-propen-1-amin [German] [ACD/IUPAC Name]
N-{1-[3-(1H-Tetrazol-1-yl)phenyl]ethyl}-2-propen-1-amine [ACD/IUPAC Name]
N-{1-[3-(1H-Tétrazol-1-yl)phényl]éthyl}-2-propén-1-amine [French] [ACD/IUPAC Name]
(prop-2-en-1-yl)({1-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl})amine
1019612-55-5 [RN]
MFCD11138112 [MDL number]
prop-2-en-1-yl({1-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl})amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 376.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 181.6±28.4 °C
Index of Refraction: 1.614
Molar Refractivity: 68.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 24.43
Polar Surface Area: 56 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 196.7±7.0 cm3

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