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Search term: ZTDHGTITAPKKMF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-{1-[2-(Bromomethyl)-2-propylpentyl]-2-pyrrolidinyl}-1-propanol | C16H32BrNO

3-{1-[2-(Bromomethyl)-2-propylpentyl]-2-pyrrolidinyl}-1-propanol

  • Molecular FormulaC16H32BrNO
  • Average mass334.335 Da
  • Monoisotopic mass333.166718 Da
  • ChemSpider ID48318530

More details:

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

2-Pyrrolidinepropanol, 1-[2-(bromomethyl)-2-propylpentyl]- [ACD/Index Name]
3-{1-[2-(Brommethyl)-2-propylpentyl]-2-pyrrolidinyl}-1-propanol [German] [ACD/IUPAC Name]
3-{1-[2-(Bromomethyl)-2-propylpentyl]-2-pyrrolidinyl}-1-propanol [ACD/IUPAC Name]
3-{1-[2-(Bromométhyl)-2-propylpentyl]-2-pyrrolidinyl}-1-propanol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 394.8±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 192.6±20.9 °C
Index of Refraction: 1.496
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 4.93
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 4.48
ACD/KOC (pH 7.4): 20.22
Polar Surface Area: 23 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 297.7±3.0 cm3

Click to predict properties on the Chemicalize site


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