Dimethyl aminomalonate hydrochloride
TL;DR: Dimethyl aminomalonate hydrochloride (CAS 16115-80-3) is a chemical compound with molecular formula C5H9NO4 and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-aminopropanedioate
Also Known As: dimethyl 2-aminomalonate, Dimethyl Aminomalonate, dimethyl 2-aminopropanedioate, Dimethyl aminomalonate HCl, Dimethyl aminomalonate hydrochloride
| Molecular Formula | C5H9NO4 |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.05316 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 16115-80-3 |
|---|---|
| SMILES | COC(=O)C(C(=O)OC)N |
| InChIKey | MHDFJESNGMDHQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl aminomalonate hydrochloride (CAS 16115-80-3), with molecular formula C5H9NO4 and molecular weight 147.05 g/mol. IUPAC: dimethyl 2-aminopropanedioate.
Chemical Property Profile of Dimethyl aminomalonate hydrochloride
Property Insights of Dimethyl aminomalonate hydrochloride
The XLogP value of -0.7 indicates that Dimethyl aminomalonate hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl aminomalonate hydrochloride. Following Lipinski's Rule of Five, Dimethyl aminomalonate hydrochloride has 1 hydrogen bond donor(s) and 5 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 Dimethyl aminomalonate hydrochloride?
The CAS number of Dimethyl aminomalonate hydrochloride is 16115-80-3.
What is the molecular formula of Dimethyl aminomalonate hydrochloride?
The molecular formula of Dimethyl aminomalonate hydrochloride is C5H9NO4.
What is the molecular weight of Dimethyl aminomalonate hydrochloride?
The molecular weight of Dimethyl aminomalonate hydrochloride is 147.05 g/mol.
Where can I buy Dimethyl aminomalonate hydrochloride?
You can request a quote for Dimethyl aminomalonate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl aminomalonate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl aminomalonate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.