ChemSpider 2D Image | (4S)-4-[(3R,5R,7R)-Adamantan-1-yl]-4-aminobutanoic acid | C14H23NO2

(4S)-4-[(3R,5R,7R)-Adamantan-1-yl]-4-aminobutanoic acid

  • Molecular FormulaC14H23NO2
  • Average mass237.338 Da
  • Monoisotopic mass237.172882 Da
  • ChemSpider ID110449928

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4S)-4-[(3R,5R,7R)-Adamantan-1-yl]-4-aminobutanoic acid [ACD/IUPAC Name]
(4S)-4-[(3R,5R,7R)-Adamantan-1-yl]-4-aminobutansäure [German] [ACD/IUPAC Name]
Acide (4S)-4-[(3R,5R,7R)-adamantan-1-yl]-4-aminobutanoïque [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-butanoic acid, γ-amino-, (γS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 393.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.6±6.0 kJ/mol
Flash Point: 191.5±23.2 °C
Index of Refraction: 1.567
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.91
Polar Surface Area: 63 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 201.1±3.0 cm3

Click to predict properties on the Chemicalize site


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