1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate
TL;DR: 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate (CAS 625-03-6) is a chemical compound with molecular formula C8H15NO5 and molecular weight 205.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-4-methylpentan-2-one;oxalic acid
Also Known As: 4-Amino-4-methyl-2-pentanone Oxalate, Diacetonamine, hemioxalate, Diacetonamine hydrogenoxalate, Diacetonamine, monooxalate, Diacetonamine hydrogen oxalate
| Molecular Formula | C8H15NO5 |
|---|---|
| Molecular Weight | 205.10 g/mol |
| LogP | -0.14 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.09502 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 625-03-6 |
|---|---|
| SMILES | CC(=O)CC(C)(C)N.C(=O)(C(=O)O)O |
| InChIKey | PABISXFQAHDPMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate (CAS 625-03-6), with molecular formula C8H15NO5 and molecular weight 205.10 g/mol. IUPAC: 4-amino-4-methylpentan-2-one;oxalic acid.
Chemical Property Profile of 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate
Property Insights of 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate
The XLogP value of -0.14 indicates that 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate. Following Lipinski's Rule of Five, 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate has 3 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 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate?
The CAS number of 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate is 625-03-6.
What is the molecular formula of 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate?
The molecular formula of 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate is C8H15NO5.
What is the molecular weight of 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate?
The molecular weight of 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate is 205.10 g/mol.
Where can I buy 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate?
You can request a quote for 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.