N-硝基甲胺
TL;DR: N-硝基甲胺 (CAS 598-57-2) is a chemical compound with molecular formula CH4N2O2 and molecular weight 76.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-硝基甲胺
nitromethanamine
Also Known As: nitromethanamine, N-Nitromethylamine, Methylnitramine, 1-nitromethanamine, NTDMA
| Molecular Formula | CH4N2O2 |
|---|---|
| Molecular Weight | 76.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.027275 |
| Heavy Atoms | 5 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 598-57-2 |
|---|---|
| SMILES | C(N)[N+](=O)[O-] |
| InChIKey | KHXLYFSTSOVKSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-硝基甲胺 (CAS 598-57-2), with molecular formula CH4N2O2 and molecular weight 76.03 g/mol. IUPAC: nitromethanamine.
Chemical Property Profile of N-硝基甲胺
Property Insights of N-硝基甲胺
The XLogP value of -0.8 indicates that N-硝基甲胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-硝基甲胺. Following Lipinski's Rule of Five, N-硝基甲胺 has 1 hydrogen bond donor(s) and 3 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 N-硝基甲胺?
The CAS number of N-硝基甲胺 is 598-57-2.
What is the molecular formula of N-硝基甲胺?
The molecular formula of N-硝基甲胺 is CH4N2O2.
What is the molecular weight of N-硝基甲胺?
The molecular weight of N-硝基甲胺 is 76.03 g/mol.
Where can I buy N-硝基甲胺?
You can request a quote for N-硝基甲胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-硝基甲胺?
Yes, KEHONG BIO provides custom synthesis services for N-硝基甲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.