Nitro(2H3)methane
TL;DR: Nitro(2H3)methane (CAS 13031-32-8) is a chemical compound with molecular formula CH3NO2 and molecular weight 64.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trideuterio(nitro)methane
Also Known As: Nitromethane-d3, Nitro(2H3)methane, Trideuteronitromethane, trideuterio(nitro)methane, Nitromethane-d?
| Molecular Formula | CH3NO2 |
|---|---|
| Molecular Weight | 64.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 64.03521 |
| Heavy Atoms | 4 |
| Complexity | 27.0 |
| Boiling Point | 100 °C @760 [mm Hg] |
| Density | 1.183 @25 °C |
Chemical Identifiers
| CAS Number | 13031-32-8 |
|---|---|
| SMILES | [2H]C([2H])([2H])[N+](=O)[O-] |
| InChIKey | LYGJENNIWJXYER-FIBGUPNXSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitro(2H3)methane (CAS 13031-32-8), with molecular formula CH3NO2 and molecular weight 64.04 g/mol. IUPAC: trideuterio(nitro)methane.
Chemical Property Profile of Nitro(2H3)methane
Property Insights of Nitro(2H3)methane
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitro(2H3)methane. With a topological polar surface area (TPSA) of 45.8 Ų, Nitro(2H3)methane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitro(2H3)methane has 0 hydrogen bond donor(s) and 2 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 Nitro(2H3)methane?
The CAS number of Nitro(2H3)methane is 13031-32-8.
What is the molecular formula of Nitro(2H3)methane?
The molecular formula of Nitro(2H3)methane is CH3NO2.
What is the molecular weight of Nitro(2H3)methane?
The molecular weight of Nitro(2H3)methane is 64.04 g/mol.
Where can I buy Nitro(2H3)methane?
You can request a quote for Nitro(2H3)methane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitro(2H3)methane?
Yes, KEHONG BIO provides custom synthesis services for Nitro(2H3)methane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.