ChemSpider 2D Image | 1-[(2R)-2-Ethylhexyl]-3-[(2S)-2-ethylhexyl]-5-methylhexahydro-5-pyrimidinamine | C21H45N3

1-[(2R)-2-Ethylhexyl]-3-[(2S)-2-ethylhexyl]-5-methylhexahydro-5-pyrimidinamine

  • Molecular FormulaC21H45N3
  • Average mass339.602 Da
  • Monoisotopic mass339.361359 Da
  • ChemSpider ID34987623

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(2R)-2-Ethylhexyl]-3-[(2S)-2-ethylhexyl]-5-methylhexahydro-5-pyrimidinamin [German] [ACD/IUPAC Name]
1-[(2R)-2-Ethylhexyl]-3-[(2S)-2-ethylhexyl]-5-methylhexahydro-5-pyrimidinamine [ACD/IUPAC Name]
1-[(2R)-2-Éthylhexyl]-3-[(2S)-2-éthylhexyl]-5-méthylhexahydro-5-pyrimidinamine [French] [ACD/IUPAC Name]
5-Pyrimidinamine, 1-[(2R)-2-ethylhexyl]-3-[(2S)-2-ethylhexyl]hexahydro-5-methyl- [ACD/Index Name]
[1,3-bis[(2S)-2-ethylhexyl]-5-methyl-hexahydropyrimidin-5-yl]amine
1,3-bis[(2S)-2-ethylhexyl]-5-methyl-1,3-diazinan-5-amine
1,3-bis[(2S)-2-ethylhexyl]-5-methyl-5-hexahydropyrimidinamine
1,3-bis[(2S)-2-ethylhexyl]-5-methyl-hexahydropyrimidin-5-amine
141-94-6 [RN]
205-513-5 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCGC00016404-01 [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: 388.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 175.0±13.8 °C
Index of Refraction: 1.467
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 16.96
ACD/KOC (pH 5.5): 38.12
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 414.41
ACD/KOC (pH 7.4): 931.28
Polar Surface Area: 33 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 388.6±3.0 cm3

Click to predict properties on the Chemicalize site


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