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31886-58-5

Basic Information
CAS No.: 31886-58-5
Name: (R)-(+)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE
Article Data: 38
Molecular Structure:
Molecular Structure of 31886-58-5 ((R)-(+)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE)
Formula: C14H19FeN
Molecular Weight: 257.159
Synonyms: Ferrocene,[1-(dimethylamino)ethyl]-, (R)-;[(1R)-1-(Dimethylamino)ethyl]ferrocene;Ferrocenemethylamine, N,N,a-trimethyl-, (R)-(+)- (8CI);(R)-N,N-Dimethyl-1-ferrocenylethylamine;(R)-[1-(Dimethylamino)ethyl]ferrocene;
EINECS: -0
Density: 1.222 g/mL at 20 °C(lit.)
Boiling Point: 120-121 °C 0.7 mm Hg(lit.)
Flash Point: >230 °F
Appearance: dark brown
Hazard Symbols: IrritantXi
Risk Codes: 36/38
Safety: 26-36
PSA: 3.24000
LogP: 2.36080
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Specification

The Ferrocene,[(1R)-1-(dimethylamino)ethyl]-, also known as Ferrocene, [(1R)-1-(dimethylamino)ethyl]-, is an organic compound with the formula C14H19FeN. It belongs to the product categories of Classes of Metal Compounds; Fe (Iron) Compounds; Ferrocenes; Metallocenes; Transition Metal Compounds. With the CAS registry number 31886-58-5, its systematic name is cyclopenta-2,4-dien-1-yl-[2-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]iron.

Physical properties of Ferrocene,[(1R)-1-(dimethylamino)ethyl]-: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 3.24 Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](C1=CC=CC1[Fe]C2C=CC=C2)N(C)C
(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;/t8-;;/m1../s1/rC14H19FeN/c1-11(16(2)3)13-9-6-10-14(13)15-12-7-4-5-8-12/h4-12,14H,1-3H3/t11-,14?/m1/s1
(3)InChIKey: ISOLNZQTVMCEOI-LFBWUEODBF