Aminoferrocene, for HPLC derivatization, >=98.0% (T)

C10H11FeN — CID 91659113

IUPAC—
SMILESNC1=CC=C[CH]1.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/C5H6N.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H,6H2;1-5H;
InChIKeyJETZZOFQXXBFDQ-UHFFFAOYSA-N
MW201.05 g/mol
LogP1.92
Rot. Bonds

About Aminoferrocene, for HPLC derivatization, >=98.0% (T)

Aminoferrocene, for HPLC derivatization, >=98.0% (T) (PubChem CID 91659113) has the molecular formula C10H11FeN and a molecular weight of 201.05 g/mol.

Molecular Properties

Compound NameAminoferrocene, for HPLC derivatization, >=98.0% (T)
PubChem CID91659113
Molecular FormulaC10H11FeN
Molecular Weight201.05 g/mol
Exact Mass201.02
IUPAC Name—
SMILESNC1=CC=C[CH]1.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/C5H6N.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H,6H2;1-5H;
InChIKeyJETZZOFQXXBFDQ-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Aminoferrocene, for HPLC derivatization, >=98.0% (T)?
The IUPAC name of Aminoferrocene, for HPLC derivatization, >=98.0% (T) (CID 91659113) is not available.
What is the SMILES notation for Aminoferrocene, for HPLC derivatization, >=98.0% (T)?
The canonical SMILES for Aminoferrocene, for HPLC derivatization, >=98.0% (T) is NC1=CC=C[CH]1.[CH]1C=CC=C1.[Fe].
What is the InChIKey of Aminoferrocene, for HPLC derivatization, >=98.0% (T)?
The InChIKey is JETZZOFQXXBFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H,6H2;1-5H;.
What are the key properties of Aminoferrocene, for HPLC derivatization, >=98.0% (T)?
Aminoferrocene, for HPLC derivatization, >=98.0% (T) has a molecular weight of 201.05 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Aminoferrocene, for HPLC derivatization, >=98.0% (T) is sourced from PubChem (CID 91659113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).