Diacetonamine acid oxalate monohydrate
TL;DR: Diacetonamine acid oxalate monohydrate (CAS 5895-86-3) is a chemical compound with molecular formula C8H17NO6 and molecular weight 223.11 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;hydrate
Also Known As: Diacetonamine acid oxalate monohydrate, Diacetonamine hydrogen oxalate hydrate, EINECS 257-108-8, Diacetonamine acid oxalate monohydrate [MI], 7543AF
| Molecular Formula | C8H17NO6 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | -0.9663 |
| Topological Polar Surface Area | 149.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.10559 |
| Heavy Atoms | 15 |
| Complexity | 217.77661 |
Chemical Identifiers
| CAS Number | 5895-86-3 |
|---|---|
| SMILES | CC(=O)CC(C)(C)N.C(=O)(C(=O)O)O.O |
Product Overview
Diacetonamine acid oxalate monohydrate (CAS 5895-86-3), with molecular formula C8H17NO6 and molecular weight 223.11 g/mol. IUPAC: 4-amino-4-methylpentan-2-one;oxalic acid;hydrate.
Chemical Property Profile of Diacetonamine acid oxalate monohydrate
Property Insights of Diacetonamine acid oxalate monohydrate
The XLogP value of -0.9663 indicates that Diacetonamine acid oxalate monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.19 Ų indicates high polarity, suggesting Diacetonamine acid oxalate monohydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diacetonamine acid oxalate monohydrate has 3 hydrogen bond donor(s) and 4 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 Diacetonamine acid oxalate monohydrate?
The CAS number of Diacetonamine acid oxalate monohydrate is 5895-86-3.
What is the molecular formula of Diacetonamine acid oxalate monohydrate?
The molecular formula of Diacetonamine acid oxalate monohydrate is C8H17NO6.
What is the molecular weight of Diacetonamine acid oxalate monohydrate?
The molecular weight of Diacetonamine acid oxalate monohydrate is 223.11 g/mol.
Where can I buy Diacetonamine acid oxalate monohydrate?
You can request a quote for Diacetonamine acid oxalate monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetonamine acid oxalate monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Diacetonamine acid oxalate monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.