ChemSpider 2D Image | (3S)-3-{[3-(Dodecylamino)propyl]amino}butanoic acid | C19H40N2O2

(3S)-3-{[3-(Dodecylamino)propyl]amino}butanoic acid

  • Molecular FormulaC19H40N2O2
  • Average mass328.533 Da
  • Monoisotopic mass328.308990 Da
  • ChemSpider ID34993283

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{[3-(Dodecylamino)propyl]amino}butanoic acid [ACD/IUPAC Name]
(3S)-3-{[3-(Dodecylamino)propyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-{[3-(dodécylamino)propyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-[[3-(dodecylamino)propyl]amino]-, (3S)- [ACD/Index Name]
229-510-3 [EINECS]
6582-31-6 [RN]
Dapabutan [INN]
UNII-1R0Y7O07NF

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

GQ5606MQYX [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 462.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 233.8±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 4.08
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 4.56
Polar Surface Area: 61 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 354.8±3.0 cm3

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