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Ferrocene,[1-(dimethylamino)ethyl]-

  • Name Ferrocene,[1-(dimethylamino)ethyl]-
  • EINECS250-862-9
  • CAS No. 31904-34-4
  • Density1,222 g/cm3
  • PSA3.24000
  • LogP2.36080
  • SolubilityNot miscible or difficult to mix in water.
  • Melting PointN/A
  • FormulaC14H19FeN
  • Boiling Point169.5 °C at 760 mmHg
  • Molecular Weight257.159
  • Flash Point48.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety24/25
  • Risk Codes36/38-22
  • Molecular Structure
    Molecular Structure of 31904-34-4 ((+/-)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE)
  • Hazard SymbolsR36/38:Irritating to eyes and skin.;
  • SynonymsR36/38:Irritating to eyes and skin.;
  • Article Data38

Ferrocene,[1-(dimethylamino)ethyl]- Specification

The Ferrocene,[1-(dimethylamino)ethyl]-, with the CAS registry number 31904-34-4 and EINECS registry number 250-862-9, has the systematic name of 1-(1-cyclopenta-2,4-dienyl)-N,N-dimethyl-ethanamine; cyclopentane; iron. And the molecular formula of the chemical is C14H19FeN. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Ferrocene,[1-(dimethylamino)ethyl]- are as followings: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å2; (7)Flash Point: 48.8 °C; (8)Enthalpy of Vaporization: 40.59 kJ/mol; (9)Boiling Point: 169.5 °C at 760 mmHg; (10)Vapour Pressure: 1.54 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Fe].N(C)(C([c-]1cccc1)C)C.[CH-]1[CH-][CH-][CH-][CH-]1
(2)InChI: InChI=1/C9H14N.C5H5.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;/h4-8H,1-3H3;1-5H;/q-1;-5;
(3)InChIKey: FUBWZFQUYFEMQO-UHFFFAOYAE

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