2-甲基-3-丁炔-2-胺
TL;DR: 2-甲基-3-丁炔-2-胺 (CAS 2978-58-7) is a chemical compound with molecular formula C5H9N and molecular weight 83.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-3-丁炔-2-胺
2-methylbut-3-yn-2-amine
Also Known As: 2-methylbut-3-yn-2-amine, 3-Butyn-2-amine, 2-methyl-, 1,1-Dimethylpropargylamine, 3-Amino-3-methyl-1-butyne, 2-Methyl-3-butyn-2-amine
| Molecular Formula | C5H9N |
|---|---|
| Molecular Weight | 83.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 83.0735 |
| Heavy Atoms | 6 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 2978-58-7 |
|---|---|
| SMILES | CC(C)(C#C)N |
| InChIKey | VUGCBIWQHSRQBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-3-丁炔-2-胺 (CAS 2978-58-7), with molecular formula C5H9N and molecular weight 83.07 g/mol. IUPAC: 2-methylbut-3-yn-2-amine.
Chemical Property Profile of 2-甲基-3-丁炔-2-胺
Property Insights of 2-甲基-3-丁炔-2-胺
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-3-丁炔-2-胺. With a topological polar surface area (TPSA) of 26.0 Ų, 2-甲基-3-丁炔-2-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-3-丁炔-2-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 2-甲基-3-丁炔-2-胺?
The CAS number of 2-甲基-3-丁炔-2-胺 is 2978-58-7.
What is the molecular formula of 2-甲基-3-丁炔-2-胺?
The molecular formula of 2-甲基-3-丁炔-2-胺 is C5H9N.
What is the molecular weight of 2-甲基-3-丁炔-2-胺?
The molecular weight of 2-甲基-3-丁炔-2-胺 is 83.07 g/mol.
Where can I buy 2-甲基-3-丁炔-2-胺?
You can request a quote for 2-甲基-3-丁炔-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-3-丁炔-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-3-丁炔-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.