ChemSpider 2D Image | 2-(1-Aziridinyl)ethanol | C4H9NO


  • Molecular FormulaC4H9NO
  • Average mass87.120 Da
  • Monoisotopic mass87.068413 Da
  • ChemSpider ID21106572

More details:

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

1072-52-2 [RN]
1-Aziridineethanol [ACD/Index Name]
2-(1-Aziridinyl)ethanol [ACD/IUPAC Name]
2-(1-Aziridinyl)ethanol [German] [ACD/IUPAC Name]
2-(1-Aziridinyl)éthanol [French] [ACD/IUPAC Name]
214-009-4 [EINECS]

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

AI3-50768 [DBID]
BRN 0102514 [DBID]
HSDB 2860 [DBID]
MFCD00005119 [DBID]
NSC 50209 [DBID]
NSC50209 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-20762]
    • Safety:

      20/21/22 Novochemy [NC-20762]
      20/21/36/37/39 Novochemy [NC-20762]
      DANGER: POISON, CORROSIVE, irritates eyes, skin, lungs Alfa Aesar A18934
      GHS07; GHS09 Novochemy [NC-20762]
      H304; H332; H403 Novochemy [NC-20762]
      P305+P351+P338; P376; P270 Novochemy [NC-20762]
      R22 Novochemy [NC-20762]
      Warning Novochemy [NC-20762]
  • Gas Chromatography
    • Retention Index (Kovats):

      815 (estimated with error: 89) NIST Spectra mainlib_230394
    • Retention Index (Normal Alkane):

      1353 (Program type: Complex; Column... (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 60 0C (3 min) ^ 2 0C/min -> 150 0C ^ 4 0C/min -> 200 0C; CAS no: 1072522; Active phase: DB-Wax; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 69, 2004, 179-187.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 168.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.6 mmHg at 25°C
Enthalpy of Vaporization: 47.1±6.0 kJ/mol
Flash Point: 67.2±0.0 °C
Index of Refraction: 1.508
Molar Refractivity: 23.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.47
Polar Surface Area: 23 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 79.4±3.0 cm3

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