N~1~,N~4~-Dimethylbut-2-ynediimidic acid
TL;DR: N~1~,N~4~-Dimethylbut-2-ynediimidic acid (CAS 81115-98-2) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-dimethylbut-2-ynediamide
Also Known As: n,n'-dimethylbut-2-ynediamide, N~1~,N~4~-Dimethylbut-2-ynediimidic acid
| Molecular Formula | C6H8N2O2 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.05858 |
| Heavy Atoms | 10 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 81115-98-2 |
|---|---|
| SMILES | CNC(=O)C#CC(=O)NC |
| InChIKey | QSFBKMIIBTZYSF-UHFFFAOYSA-N |
Product Overview
N~1~,N~4~-Dimethylbut-2-ynediimidic acid (CAS 81115-98-2), with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol. IUPAC: N,N'-dimethylbut-2-ynediamide.
Chemical Property Profile of N~1~,N~4~-Dimethylbut-2-ynediimidic acid
Property Insights of N~1~,N~4~-Dimethylbut-2-ynediimidic acid
The XLogP value of -0.4 indicates that N~1~,N~4~-Dimethylbut-2-ynediimidic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, N~1~,N~4~-Dimethylbut-2-ynediimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~4~-Dimethylbut-2-ynediimidic acid has 2 hydrogen bond donor(s) and 2 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~1~,N~4~-Dimethylbut-2-ynediimidic acid?
The CAS number of N~1~,N~4~-Dimethylbut-2-ynediimidic acid is 81115-98-2.
What is the molecular formula of N~1~,N~4~-Dimethylbut-2-ynediimidic acid?
The molecular formula of N~1~,N~4~-Dimethylbut-2-ynediimidic acid is C6H8N2O2.
What is the molecular weight of N~1~,N~4~-Dimethylbut-2-ynediimidic acid?
The molecular weight of N~1~,N~4~-Dimethylbut-2-ynediimidic acid is 140.06 g/mol.
Where can I buy N~1~,N~4~-Dimethylbut-2-ynediimidic acid?
You can request a quote for N~1~,N~4~-Dimethylbut-2-ynediimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~,N~4~-Dimethylbut-2-ynediimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~4~-Dimethylbut-2-ynediimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.