ChemSpider 2D Image | (2R,3R,4S)-4-Amino-2,6-dimethyl-1,3-heptanediol | C9H21NO2

(2R,3R,4S)-4-Amino-2,6-dimethyl-1,3-heptanediol

  • Molecular FormulaC9H21NO2
  • Average mass175.268 Da
  • Monoisotopic mass175.157227 Da
  • ChemSpider ID35033308
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,3R,4S)-4-Amino-2,6-dimethyl-1,3-heptandiol [German] [ACD/IUPAC Name]
(2R,3R,4S)-4-Amino-2,6-dimethyl-1,3-heptanediol [ACD/IUPAC Name]
(2R,3R,4S)-4-Amino-2,6-diméthyl-1,3-heptanediol [French] [ACD/IUPAC Name]
(2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol
1,3-Heptanediol, 4-amino-2,6-dimethyl-, (2R,3R,4S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 307.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.6±6.0 kJ/mol
Flash Point: 139.9±23.7 °C
Index of Refraction: 1.478
Molar Refractivity: 50.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 177.3±3.0 cm3

Click to predict properties on the Chemicalize site






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