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

Name
(+/-)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE
EINECS 250-862-9
CAS No. 31904-34-4
Article Data38
CAS DataBase
Density 1,222 g/cm3
Solubility Not miscible or difficult to mix in water.
Melting Point
Formula C₁₄H₁₉FeN
Boiling Point 169.5 °C at 760 mmHg
Molecular Weight 257.159
Flash Point 48.8 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 36/38-22
Molecular Structure
Hazard Symbols R36/38:Irritating to eyes and skin.;
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]-;
PSA 3.24000
LogP 2.36080

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

Product Name

(+/-)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE

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

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