Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1)
TL;DR: Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1) (CAS 3854-06-6) is a chemical compound with molecular formula C11H18N2O5 and molecular weight 258.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(dimethylamino)but-2-ynyl]-N-methylacetamide;oxalic acid
Also Known As: Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1), N-(4-Dimethylaminobut-2-ynyl)-N-methylacetamide hydrogen oxalate, Acetamide,N-(4-(dimethylamino)-2-butynyl)-N-methyl-,oxalate, N-[4-(dimethylamino)but-2-ynyl]-N-methylacetamide; oxalic acid, ACETAMIDE, N-(4-(DIMETHYLAMINO)-2-BUTYNYL)-N-METHYL-, OXALATE
| Molecular Formula | C11H18N2O5 |
|---|---|
| Molecular Weight | 258.12 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.12158 |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 3854-06-6 |
|---|---|
| SMILES | CC(=O)N(C)CC#CCN(C)C.C(=O)(C(=O)O)O |
| InChIKey | BNYJYLAOVNFHSE-UHFFFAOYSA-N |
Product Overview
Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1) (CAS 3854-06-6), with molecular formula C11H18N2O5 and molecular weight 258.12 g/mol. IUPAC: N-[4-(dimethylamino)but-2-ynyl]-N-methylacetamide;oxalic acid.
Chemical Property Profile of Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1)
Property Insights of Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1)
The XLogP value of -0.81 indicates that Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1). Following Lipinski's Rule of Five, Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1) has 2 hydrogen bond donor(s) and 6 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 Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1)?
The CAS number of Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1) is 3854-06-6.
What is the molecular formula of Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1)?
The molecular formula of Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1) is C11H18N2O5.
What is the molecular weight of Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1)?
The molecular weight of Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1) is 258.12 g/mol.
Where can I buy Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1)?
You can request a quote for Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(4-(dimethylamino)-2-butynyl)-N-methyl-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.