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Search term: YKMMLFOYDTYAGR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-ISOPROPYLPENTEDRONE | C14H21NO

N-ISOPROPYLPENTEDRONE

  • Molecular FormulaC14H21NO
  • Average mass219.323 Da
  • Monoisotopic mass219.162308 Da
  • ChemSpider ID52085084

More details:

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

18296-65-6 [RN]
1-Pentanone, 2-[(1-methylethyl)amino]-1-phenyl- [ACD/Index Name]
2-(Isopropylamino)-1-phenyl-1-pentanon [German] [ACD/IUPAC Name]
2-(Isopropylamino)-1-phenyl-1-pentanone [ACD/IUPAC Name]
2-(Isopropylamino)-1-phényl-1-pentanone [French] [ACD/IUPAC Name]
N-ISOPROPYLPENTEDRONE
NiPP [ACD/IUPAC Name]

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

J82ET68TJQ [DBID]
UNII:J82ET68TJQ [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 316.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.8±3.0 kJ/mol
Flash Point: 107.4±23.3 °C
Index of Refraction: 1.501
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 15.42
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 60.10
ACD/KOC (pH 7.4): 547.10
Polar Surface Area: 29 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 229.6±3.0 cm3

Click to predict properties on the Chemicalize site


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