N,N-Dimethylaminomethylferrocene
TL;DR: N,N-Dimethylaminomethylferrocene (CAS 1271-86-9) is a chemical compound with molecular formula C13H17FeN and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-1,3-diene;1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;iron(2+)
Also Known As: N,N-Dimethylaminomethylferrocene, (Dimethylaminomethyl)ferrocene, Ferrocenylmethyldimethylamine, Dimethylaminomethylferrocene, ((Dimethylamino)methyl)ferrocene
| Molecular Formula | C13H17FeN |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 2.87 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.07103 |
| Heavy Atoms | 15 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 1271-86-9 |
|---|---|
| SMILES | CN(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2] |
| InChIKey | ISDNRMKSXGICTM-UHFFFAOYSA-N |
Product Overview
N,N-Dimethylaminomethylferrocene (CAS 1271-86-9), with molecular formula C13H17FeN and molecular weight 243.07 g/mol. IUPAC: cyclopenta-1,3-diene;1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;iron(2+).
Chemical Property Profile of N,N-Dimethylaminomethylferrocene
Property Insights of N,N-Dimethylaminomethylferrocene
The XLogP value of 2.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethylaminomethylferrocene. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Dimethylaminomethylferrocene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethylaminomethylferrocene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-Dimethylaminomethylferrocene?
The CAS number of N,N-Dimethylaminomethylferrocene is 1271-86-9.
What is the molecular formula of N,N-Dimethylaminomethylferrocene?
The molecular formula of N,N-Dimethylaminomethylferrocene is C13H17FeN.
What is the molecular weight of N,N-Dimethylaminomethylferrocene?
The molecular weight of N,N-Dimethylaminomethylferrocene is 243.07 g/mol.
Where can I buy N,N-Dimethylaminomethylferrocene?
You can request a quote for N,N-Dimethylaminomethylferrocene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethylaminomethylferrocene?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethylaminomethylferrocene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.