Found 3 results

Search term: CQTOOIGELCPQPJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[3-(2-Aminoethyl)-3H-diaziren-3-yl]alanine | C6H12N4O2

3-[3-(2-Aminoethyl)-3H-diaziren-3-yl]alanine

  • Molecular FormulaC6H12N4O2
  • Average mass172.185 Da
  • Monoisotopic mass172.096024 Da
  • ChemSpider ID65324652

More details:

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

3-[3-(2-Aminoethyl)-3H-diaziren-3-yl]alanin [German] [ACD/IUPAC Name]
3-[3-(2-Aminoethyl)-3H-diaziren-3-yl]alanine [ACD/IUPAC Name]
3-[3-(2-Aminoéthyl)-3H-diazirén-3-yl]alanine [French] [ACD/IUPAC Name]
3H-Diazirine-3-propanoic acid, α-amino-3-(2-aminoethyl)- [ACD/Index Name]
(S)-2-amino-3-(3-(2-aminoethyl)-3H-diazirin-3-yl)propanoic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 339.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.1±6.0 kJ/mol
Flash Point: 159.0±27.3 °C
Index of Refraction: 1.696
Molar Refractivity: 39.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 81.8±7.0 dyne/cm
Molar Volume: 103.5±7.0 cm3

Click to predict properties on the Chemicalize site


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