ChemSpider 2D Image | PANTHENYL ETHYL ETHER ACETATE | C13H25NO5

PANTHENYL ETHYL ETHER ACETATE

  • Molecular FormulaC13H25NO5
  • Average mass275.341 Da
  • Monoisotopic mass275.173279 Da
  • ChemSpider ID32700973

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-4-[(3-Ethoxypropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl acetate [ACD/IUPAC Name]
(3R)-4-[(3-Ethoxypropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl-acetat [German] [ACD/IUPAC Name]
119516-54-0 [RN]
Acétate de (3R)-4-[(3-éthoxypropyl)amino]-3-hydroxy-2,2-diméthyl-4-oxobutyle [French] [ACD/IUPAC Name]
Butanamide, 4-(acetyloxy)-N-(3-ethoxypropyl)-2-hydroxy-3,3-dimethyl-, (2R)- [ACD/Index Name]
PANTHENYL ETHYL ETHER ACETATE
(2R)-4-Acetoxy-N-(3-ethoxypropyl)-2-hydroxy-3,3-dimethylbutanamide

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

S2FA5ZM21C [DBID]
UNII:S2FA5ZM21C [DBID]
UNII-S2FA5ZM21C [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 418.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 206.9±28.7 °C
Index of Refraction: 1.464
Molar Refractivity: 70.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.04
ACD/KOC (pH 5.5): 77.06
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 77.06
Polar Surface Area: 85 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 256.8±3.0 cm3

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