6-Amino-6-methylfulvene
TL;DR: 6-Amino-6-methylfulvene (CAS 694-74-6) is a chemical compound with molecular formula C7H9N and molecular weight 107.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopenta-2,4-dien-1-ylideneethanamine
Also Known As: 6-Amino-6-methylfulvene, 1-cyclopenta-2,4-dien-1-ylideneethanamine, 1-(2,4-Cyclopentadienylidene)ethanamine, Ethanamine, 1-(2,4-cyclopentadien-1-ylidene)-, 1-(cyclopenta-2,4-dien-1-ylidene)ethan-1-amine
| Molecular Formula | C7H9N |
|---|---|
| Molecular Weight | 107.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.0735 |
| Heavy Atoms | 8 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 694-74-6 |
|---|---|
| SMILES | CC(=C1C=CC=C1)N |
| InChIKey | NQMAZILNWHLNBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Amino-6-methylfulvene (CAS 694-74-6), with molecular formula C7H9N and molecular weight 107.07 g/mol. IUPAC: 1-cyclopenta-2,4-dien-1-ylideneethanamine.
Chemical Property Profile of 6-Amino-6-methylfulvene
Property Insights of 6-Amino-6-methylfulvene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-6-methylfulvene. With a topological polar surface area (TPSA) of 26.0 Ų, 6-Amino-6-methylfulvene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Amino-6-methylfulvene has 1 hydrogen bond donor(s) and 1 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 6-Amino-6-methylfulvene?
The CAS number of 6-Amino-6-methylfulvene is 694-74-6.
What is the molecular formula of 6-Amino-6-methylfulvene?
The molecular formula of 6-Amino-6-methylfulvene is C7H9N.
What is the molecular weight of 6-Amino-6-methylfulvene?
The molecular weight of 6-Amino-6-methylfulvene is 107.07 g/mol.
Where can I buy 6-Amino-6-methylfulvene?
You can request a quote for 6-Amino-6-methylfulvene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-6-methylfulvene?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-6-methylfulvene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.