Methyl 3-(Dimethylamino)-2-nitroacrylate
TL;DR: Methyl 3-(Dimethylamino)-2-nitroacrylate (CAS 26533-48-2) is a chemical compound with molecular formula C6H10N2O4 and molecular weight 174.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(dimethylamino)-2-nitroprop-2-enoate
Also Known As: Methyl 3-(Dimethylamino)-2-nitroacrylate, Methyl 3-dimethylamino-2-nitro-prop-2-enoate, methyl 3-(dimethylamino)-2-nitroprop-2-enoate
| Molecular Formula | C6H10N2O4 |
|---|---|
| Molecular Weight | 174.06 g/mol |
| LogP | -0.1609 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.06406 |
| Heavy Atoms | 12 |
| Complexity | 221.58798 |
Chemical Identifiers
| CAS Number | 26533-48-2 |
|---|---|
| SMILES | CN(C)C=C(C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 3-(Dimethylamino)-2-nitroacrylate (CAS 26533-48-2), with molecular formula C6H10N2O4 and molecular weight 174.06 g/mol. IUPAC: methyl 3-(dimethylamino)-2-nitroprop-2-enoate.
Chemical Property Profile of Methyl 3-(Dimethylamino)-2-nitroacrylate
Property Insights of Methyl 3-(Dimethylamino)-2-nitroacrylate
The XLogP value of -0.1609 indicates that Methyl 3-(Dimethylamino)-2-nitroacrylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(Dimethylamino)-2-nitroacrylate. Following Lipinski's Rule of Five, Methyl 3-(Dimethylamino)-2-nitroacrylate has 0 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 Methyl 3-(Dimethylamino)-2-nitroacrylate?
The CAS number of Methyl 3-(Dimethylamino)-2-nitroacrylate is 26533-48-2.
What is the molecular formula of Methyl 3-(Dimethylamino)-2-nitroacrylate?
The molecular formula of Methyl 3-(Dimethylamino)-2-nitroacrylate is C6H10N2O4.
What is the molecular weight of Methyl 3-(Dimethylamino)-2-nitroacrylate?
The molecular weight of Methyl 3-(Dimethylamino)-2-nitroacrylate is 174.06 g/mol.
Where can I buy Methyl 3-(Dimethylamino)-2-nitroacrylate?
You can request a quote for Methyl 3-(Dimethylamino)-2-nitroacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(Dimethylamino)-2-nitroacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(Dimethylamino)-2-nitroacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.