ChemSpider 2D Image | 1-(1-Adamantyl)propan-2-amine | C13H23N

1-(1-Adamantyl)propan-2-amine

  • Molecular FormulaC13H23N
  • Average mass193.328 Da
  • Monoisotopic mass193.183044 Da
  • ChemSpider ID29365328

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-(1-Adamantyl)propan-2-amine
1-[(3s,5s,7s)-Adamantan-1-yl]-2-propanamin [German] [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-2-propanamine [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-2-propanamine [French] [ACD/IUPAC Name]
39978-69-3 [RN]
Tricyclo[3.3.1.13,7]decane-1-ethanamine, α-methyl- [ACD/Index Name]
[39978-69-3] [RN]

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

MFCD02632259 [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: 256.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 104.7±13.3 °C
Index of Refraction: 1.532
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 26 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 192.3±3.0 cm3

Click to predict properties on the Chemicalize site


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