ChemSpider 2D Image | 4&#39-Aminoacetophenone | C8H9NO

4'-Aminoacetophenone

  • Molecular FormulaC8H9NO
  • Average mass135.163 Da
  • Monoisotopic mass135.068420 Da
  • ChemSpider ID21108576

More details:

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

4'-Aminoacetophenone
1-(4-Aminophenyl)ethanon [German] [ACD/IUPAC Name]
1-(4-Aminophenyl)ethanone [ACD/IUPAC Name]
1-(4-Aminophényl)éthanone [French] [ACD/IUPAC Name]
202-801-2 [EINECS]
4-Acetylaniline
4-Amino acetophenone
4'-Aminoacetophenone
4-Aminoacetophenone
99-92-3 [RN]
More...

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

1S58KH902I [DBID]
MFCD00007896 [DBID]
A38002_ALDRICH [DBID]
AE-641/02305020 [DBID]
AI3-01092 [DBID]
AIDS019990 [DBID]
AIDS-019990 [DBID]
BRN 0108808 [DBID]
BRN 0471493 [DBID]
CCRIS 5061 [DBID]
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  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous

    • Safety:

      22-36/37/38 Alfa Aesar A13213
      26-36/37 Alfa Aesar A13213
      H302-H315-H319-H335 Alfa Aesar A13213
      P280h-P305+P351+P338 Alfa Aesar A13213
      Warning Alfa Aesar A13213
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar A13213
  • Gas Chromatography

    • Retention Index (Kovats):

      1341 (estimated with error: 89) NIST Spectra mainlib_228486, replib_70774, replib_63841

    • Retention Index (Normal Alkane):

      1509 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 99923; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      1440 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Description: 30 0C (4 min) ^ 6 K/min -> 200 0C ^ 15 K/min -> 250 0C (20 min); CAS no: 99923; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Rowland, C.Y.; Blackman, A.J.; D'Arcy, B.R.; Rintoul, G.B., Comparison of organic extractives found in leatherwood (Eucryphia lucida) honey and leatherwood flowers and leaves, J. Agric. Food Chem., 43, 1995, 753-763.) NIST Spectra nist ri
      2181 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 99923; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) 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: 294.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 132.1±19.8 °C
Index of Refraction: 1.571
Molar Refractivity: 40.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 69.33
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.36
Polar Surface Area: 43 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 123.2±3.0 cm3

Click to predict properties on the Chemicalize site


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