ChemSpider 2D Image | 272HDU7VEF | C18H29NO4

272HDU7VEF

  • Molecular FormulaC18H29NO4
  • Average mass323.427 Da
  • Monoisotopic mass323.209656 Da
  • ChemSpider ID23311516

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-{4-[2-(Cyclopropylmethoxy)ethoxy]phenoxy}-3-(isopropylamino)-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-{4-[2-(Cyclopropylmethoxy)ethoxy]phenoxy}-3-(isopropylamino)-2-propanol [ACD/IUPAC Name]
(2S)-1-{4-[2-(Cyclopropylméthoxy)éthoxy]phénoxy}-3-(isopropylamino)-2-propanol [French] [ACD/IUPAC Name]
(2S)-1-{4-[2-(cyclopropylmethoxy)ethoxy]phenoxy}-3-(propan-2-ylamino)propan-2-ol
118107-94-1 [RN]
272HDU7VEF
2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-[(1-methylethyl)amino]-, (2S)- [ACD/Index Name]
(2R)-1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(isopropylamino)propan-2-ol
(2R)-1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
(S)-1-(4-(2-(cyclopropylmethoxy)ethoxy)phenoxy)-3-(isopropylamino)propan-2-ol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 466.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 235.7±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.82
Polar Surface Area: 60 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 295.7±3.0 cm3

Click to predict properties on the Chemicalize site


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