4-Amino-4-methyl-2-pentyne-1-al
TL;DR: 4-Amino-4-methyl-2-pentyne-1-al (CAS 121188-32-7) is a chemical compound with molecular formula CC(C)(C#CC=O)N and molecular weight 111.06841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-4-methylpent-2-ynal
Also Known As: AMPAL, 4-amino-4-methylpent-2-ynal, 4-Amino-4-methyl-2-pentyne-1-al, 2-Pentynal,4-amino-4-methyl-, 4-Amino-4-methyl-2-pentynal
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CC(C)(C#CC=O)N |
| Molecular Weight | 111.06841 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.06841 Da |
| Heavy Atoms | 8 |
| Complexity | 146.0 |
| SMILES | CC(C)(C#CC=O)N |
| InChIKey | ZMAIVKIYUIAWSA-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-4-methyl-2-pentyne-1-al
Property Insights of 4-Amino-4-methyl-2-pentyne-1-al
The XLogP value of -0.2 indicates that 4-Amino-4-methyl-2-pentyne-1-al is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, 4-Amino-4-methyl-2-pentyne-1-al exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-4-methyl-2-pentyne-1-al has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Amino-4-methyl-2-pentyne-1-al?
The CAS number of 4-Amino-4-methyl-2-pentyne-1-al is 121188-32-7.
What is the molecular formula of 4-Amino-4-methyl-2-pentyne-1-al?
The molecular formula of 4-Amino-4-methyl-2-pentyne-1-al is CC(C)(C#CC=O)N.
What is the molecular weight of 4-Amino-4-methyl-2-pentyne-1-al?
The molecular weight of 4-Amino-4-methyl-2-pentyne-1-al is 111.06841 g/mol.
Where can I buy 4-Amino-4-methyl-2-pentyne-1-al?
You can request a quote for 4-Amino-4-methyl-2-pentyne-1-al directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-4-methyl-2-pentyne-1-al?
Yes, CoreyChem provides custom synthesis services for 4-Amino-4-methyl-2-pentyne-1-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.