N,N-di(butan-2-yl)-2-cyanoacetamide
TL;DR: N,N-di(butan-2-yl)-2-cyanoacetamide (CAS 133123-91-8) is a chemical compound with molecular formula C11H20N2O and molecular weight 196.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-di(butan-2-yl)-2-cyanoacetamide
Also Known As: N,N-di-sec-butyl alpha-cyanoacetamide, N,N-dibutan-2-yl-2-cyano-acetamide, N,N-di(butan-2-yl)-2-cyanoacetamide
Technical Specifications
| Molecular Formula | C11H20N2O |
| Molecular Weight | 196.15756 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.15756 Da |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
| SMILES | CCC(C)N(C(C)CC)C(=O)CC#N |
| InChIKey | APDNZERSAHJJIL-UHFFFAOYSA-N |
Chemical Property Profile of N,N-di(butan-2-yl)-2-cyanoacetamide
Property Insights of N,N-di(butan-2-yl)-2-cyanoacetamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-di(butan-2-yl)-2-cyanoacetamide. With a topological polar surface area (TPSA) of 44.1 Ų, N,N-di(butan-2-yl)-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-di(butan-2-yl)-2-cyanoacetamide has 0 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 N,N-di(butan-2-yl)-2-cyanoacetamide?
The CAS number of N,N-di(butan-2-yl)-2-cyanoacetamide is 133123-91-8.
What is the molecular formula of N,N-di(butan-2-yl)-2-cyanoacetamide?
The molecular formula of N,N-di(butan-2-yl)-2-cyanoacetamide is C11H20N2O.
What is the molecular weight of N,N-di(butan-2-yl)-2-cyanoacetamide?
The molecular weight of N,N-di(butan-2-yl)-2-cyanoacetamide is 196.15756 g/mol.
Where can I buy N,N-di(butan-2-yl)-2-cyanoacetamide?
You can request a quote for N,N-di(butan-2-yl)-2-cyanoacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-di(butan-2-yl)-2-cyanoacetamide?
Yes, CoreyChem provides custom synthesis services for N,N-di(butan-2-yl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.