Found 1 result

Search term: MF = 'C_{9}H_{11}D_{6}NO_{2}'

ChemSpider 2D Image | [1-(Aminomethyl)(3,3,4,4,5,5-~2~H_6_)cyclohexyl]acetic acid | C9H11D6NO2

[1-(Aminomethyl)(3,3,4,4,5,5-2H6)cyclohexyl]acetic acid

  • Molecular FormulaC9H11D6NO2
  • Average mass177.274 Da
  • Monoisotopic mass177.163589 Da
  • ChemSpider ID48061334
  • Non-standard isotope - Non-standard isotope


More details:






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

[1-(Aminomethyl)(3,3,4,4,5,5-2H6)cyclohexyl]acetic acid [ACD/IUPAC Name]
[1-(Aminomethyl)(3,3,4,4,5,5-2H6)cyclohexyl]essigsäure [German] [ACD/IUPAC Name]
Acide [1-(aminométhyl)(3,3,4,4,5,5-2H6)cyclohexyl]acétique [French] [ACD/IUPAC Name]
Cyclohexane-3,3,4,4,5,5-d6-acetic acid, 1-(aminomethyl)- [ACD/Index Name]
1346600-67-6 [RN]
2-[1-(aminomethyl)-3,3,4,4,5,5-hexadeuteriocyclohexyl]acetic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 314.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.1±6.0 kJ/mol
Flash Point: 144.0±20.4 °C
Index of Refraction: 1.489
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 161.8±3.0 cm3

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