Synonyms
(Trimethylammoniomethyl)ferrocene chloride
IUPAC Name
cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride
Molecular Weight
293.62
Molecular Formula
C14H20ClFeN
Canonical SMILES
C[N+](C)(C)CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Cl-].[Fe+2]
InChI
InChI=1S/C9H15N.C5H5.ClH.Fe/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;/h4-7H,8H2,1-3H3;1-5H;1H;/q;-1;+2/p-1
InChI Key
IVQIXUCSDNCTDO-UHFFFAOYSA-M
Purity
98%+
Appearance
Light yellow to brown powder to crystal
Storage
Store under inert gas
Complexity
107
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
0
Exact Mass
293.063363
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
17
Monoisotopic Mass
293.063363
Rotatable Bond Count
2
Topological Polar Surface Area
0 Ų
