3-乙基-1-戊炔-3-胺
TL;DR: 3-乙基-1-戊炔-3-胺 (CAS 3234-64-8) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙基-1-戊炔-3-胺
3-ethylpent-1-yn-3-amine
Also Known As: 1,1-Diethylpropargylamine, 3-Ethylpent-1-yn-3-amine, 1,1-Diethyl-prop-2-ynylamine, 1-Pentyn-3-amine, 3-ethyl-, 2,2-diethylpropargylamine
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 3234-64-8 |
|---|---|
| SMILES | CCC(CC)(C#C)N |
| InChIKey | WHNOKDNCUNZBLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙基-1-戊炔-3-胺 (CAS 3234-64-8), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: 3-ethylpent-1-yn-3-amine.
Chemical Property Profile of 3-乙基-1-戊炔-3-胺
Property Insights of 3-乙基-1-戊炔-3-胺
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙基-1-戊炔-3-胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3-乙基-1-戊炔-3-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙基-1-戊炔-3-胺 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 3-乙基-1-戊炔-3-胺?
The CAS number of 3-乙基-1-戊炔-3-胺 is 3234-64-8.
What is the molecular formula of 3-乙基-1-戊炔-3-胺?
The molecular formula of 3-乙基-1-戊炔-3-胺 is C7H13N.
What is the molecular weight of 3-乙基-1-戊炔-3-胺?
The molecular weight of 3-乙基-1-戊炔-3-胺 is 111.10 g/mol.
Where can I buy 3-乙基-1-戊炔-3-胺?
You can request a quote for 3-乙基-1-戊炔-3-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙基-1-戊炔-3-胺?
Yes, KEHONG BIO provides custom synthesis services for 3-乙基-1-戊炔-3-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.