ChemSpider 2D Image | (2S)-1,2,4-Butanetriamine | C4H13N3

(2S)-1,2,4-Butanetriamine

  • Molecular FormulaC4H13N3
  • Average mass103.166 Da
  • Monoisotopic mass103.110947 Da
  • ChemSpider ID61596315

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,2,4-Butanetriamine [ACD/IUPAC Name]
(2S)-1,2,4-Butanetriamine [French] [ACD/IUPAC Name]
(2S)-1,2,4-Butantriamin [German] [ACD/IUPAC Name]
1,2,4-Butanetriamine, (2S)- [ACD/Index Name]
740059-55-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 271.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 137.9±15.4 °C
Index of Refraction: 1.500
Molar Refractivity: 31.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.68
ACD/LogD (pH 5.5): -7.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 106.0±3.0 cm3

Click to predict properties on the Chemicalize site


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