N-tert-Butylpivalamide
TL;DR: N-tert-Butylpivalamide (CAS 686-96-4) is a chemical compound with molecular formula C9H19NO and molecular weight 157.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2,2-dimethylpropanamide
Also Known As: N-tert-Butylpivalamide, pivaloyl t-butylamine, N-tert-Butylpivalic acid amide, N-tert-butyl-2,2-dimethylpropanamide, N-(tert-butyl)pivalamide
| Molecular Formula | C9H19NO |
|---|---|
| Molecular Weight | 157.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.14667 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 686-96-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC(C)(C)C |
| InChIKey | GFONROXQFASPMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-Butylpivalamide (CAS 686-96-4), with molecular formula C9H19NO and molecular weight 157.15 g/mol. IUPAC: N-tert-butyl-2,2-dimethylpropanamide.
Chemical Property Profile of N-tert-Butylpivalamide
Property Insights of N-tert-Butylpivalamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-Butylpivalamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-tert-Butylpivalamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-Butylpivalamide 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 N-tert-Butylpivalamide?
The CAS number of N-tert-Butylpivalamide is 686-96-4.
What is the molecular formula of N-tert-Butylpivalamide?
The molecular formula of N-tert-Butylpivalamide is C9H19NO.
What is the molecular weight of N-tert-Butylpivalamide?
The molecular weight of N-tert-Butylpivalamide is 157.15 g/mol.
Where can I buy N-tert-Butylpivalamide?
You can request a quote for N-tert-Butylpivalamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butylpivalamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butylpivalamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.