4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride
TL;DR: 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride (CAS 1052419-27-8) is a chemical compound with molecular formula C12H18ClN3O4 and molecular weight 303.09857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(dimethylamino)methyl]-2-nitrophenyl] N,N-dimethylcarbamate;hydrochloride
Also Known As: [4-(dimethylaminomethyl)-2-nitrophenyl] N,N-dimethylcarbamate hydrochloride, 4-((dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride, [4-(dimethylaminomethyl)-2-nitro-phenyl] N,N-dimethylcarbamate Hydrochloride
Technical Specifications
| Molecular Formula | C12H18ClN3O4 |
| Molecular Weight | 303.09857 g/mol |
| XLogP | 2.1386 |
| Topological Polar Surface Area (TPSA) | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.09857 Da |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
| SMILES | CN(C)CC1=CC(=C(C=C1)OC(=O)N(C)C)[N+](=O)[O-].Cl |
| InChIKey | SNZZGALPWUEJQS-UHFFFAOYSA-N |
Chemical Property Profile of 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride
Property Insights of 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride
The XLogP value of 2.1386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride. Following Lipinski's Rule of Five, 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate 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
What is the CAS number of 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride?
The CAS number of 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride is 1052419-27-8.
What is the molecular formula of 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride?
The molecular formula of 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride is C12H18ClN3O4.
What is the molecular weight of 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride?
The molecular weight of 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride is 303.09857 g/mol.
Where can I buy 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride?
You can request a quote for 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride?
Yes, CoreyChem provides custom synthesis services for 4-((Dimethylamino)methyl)-2-nitrophenyl dimethylcarbamate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.