ChemSpider 2D Image | (2-~2~H)-1H-Purin-6-amine | C5H4DN5

(2-2H)-1H-Purin-6-amine

  • Molecular FormulaC5H4DN5
  • Average mass136.133 Da
  • Monoisotopic mass136.060776 Da
  • ChemSpider ID24532037
  • Non-standard isotope - Non-standard isotope


More details:






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

(2-2H)-1H-Purin-6-amin [German] [ACD/IUPAC Name]
(2-2H)-1H-Purin-6-amine [ACD/IUPAC Name]
(2-2H)-1H-Purin-6-amine [French] [ACD/IUPAC Name]
(2-2H)-7H-Purin-6-amine
7H-Purin-2-d-6-amine [ACD/Index Name]
109923-52-6 [RN]
6-Aminopurine
Adenine-2-d1
Vitamin B4

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

CCRIS 2556 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 553.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 322.7±11.8 °C
Index of Refraction: 1.837
Molar Refractivity: 37.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 36.58
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 40.65
Polar Surface Area: 80 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 122.7±3.0 dyne/cm
Molar Volume: 83.8±3.0 cm3

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