ChemSpider 2D Image | (2S)-2-(4-Methyl-1-piperazinyl)-1-butanamine | C9H21N3

(2S)-2-(4-Methyl-1-piperazinyl)-1-butanamine

  • Molecular FormulaC9H21N3
  • Average mass171.283 Da
  • Monoisotopic mass171.173553 Da
  • ChemSpider ID32801220

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Methyl-1-piperazinyl)-1-butanamin [German] [ACD/IUPAC Name]
(2S)-2-(4-Methyl-1-piperazinyl)-1-butanamine [ACD/IUPAC Name]
(2S)-2-(4-Méthyl-1-pipérazinyl)-1-butanamine [French] [ACD/IUPAC Name]
1-Piperazineethanamine, β-ethyl-4-methyl-, (βS)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 237.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 96.3±13.2 °C
Index of Refraction: 1.490
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 33 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 180.9±3.0 cm3

Click to predict properties on the Chemicalize site


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