Found 692 results

Search term: MF = 'C_{6}H_{12}N_{4}O_{2}'
ChemSpider 2D Image | 3-[3-(2-Aminoethyl)-3H-diaziren-3-yl]-L-alanine | C6H12N4O2

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

  • Molecular FormulaC6H12N4O2
  • Average mass172.185 Da
  • Monoisotopic mass172.096024 Da
  • ChemSpider ID67896579

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[3-(2-Aminoethyl)-3H-diaziren-3-yl]-L-alanin [German] [ACD/IUPAC Name]
3-[3-(2-Aminoethyl)-3H-diaziren-3-yl]-L-alanine [ACD/IUPAC Name]
3-[3-(2-Aminoéthyl)-3H-diazirén-3-yl]-L-alanine [French] [ACD/IUPAC Name]
3H-Diazirine-3-propanoic acid, α-amino-3-(2-aminoethyl)-, (αS)- [ACD/Index Name]
(2S)-2-AMINO-3-[3-(2-AMINOETHYL)-3H-DIAZIRIN-3-YL]PROPANOIC ACID
(2S)-2-AMINO-3-[3-(2-AMINOETHYL)DIAZIRIN-3-YL]PROPANOIC ACID
(S)-2-amino-3-(3-(2-aminoethyl)-3H-diazirin-3-yl)propanoic acid
1863117-91-2 [RN]
MFCD30532688
photo-lysine

    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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