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| CAS No.: | 31904-34-4 |
|---|---|
| Name: | (+/-)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE |
| Article Data: | 38 |
| Molecular Structure: | |
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| Formula: | C14H19FeN |
| Molecular Weight: | 257.159 |
| Synonyms: | N,N-Dimethyl-a-ferrocenylethylamine;N,N-Dimethyl-1-ferrocenylethylamine;(1-Ferrocenylethyl)dimethylamine;Ferrocenemethylamine,N,N,a-trimethyl-, (?à)- (8CI);1-(1-cyclopenta-2,4-dienyl)-N,N-dimethyl-ethanamine; cyclopentane; iron;Ferrocene, [1-(dimethylamino)ethyl]-; |
| EINECS: | 250-862-9 |
| Density: | 1,222 g/cm3 |
| Boiling Point: | 169.5 °C at 760 mmHg |
| Flash Point: | 48.8 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
| Risk Codes: | 36/38-22 |
| Safety: | 24/25 |
| PSA: | 3.24000 |
| LogP: | 2.36080 |
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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