Propane, 2-nitro-, ion(1-)
TL;DR: Propane, 2-nitro-, ion(1-) (CAS 20846-00-8) is a chemical compound with molecular formula C3H6NO2- and molecular weight 88.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitropropane
Also Known As: 2-Nitropropane ion, 2-nitropropan-2-ide, Propane-2-nitronate, 2-nitropropane, 2-Nitropropane nitronate
| Molecular Formula | C3H6NO2- |
|---|---|
| Molecular Weight | 88.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 88.039856 |
| Heavy Atoms | 6 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 20846-00-8 |
|---|---|
| SMILES | C[C-](C)[N+](=O)[O-] |
| InChIKey | MRHSGZMVLDOZCK-UHFFFAOYSA-N |
Product Overview
Propane, 2-nitro-, ion(1-) (CAS 20846-00-8), with molecular formula C3H6NO2- and molecular weight 88.04 g/mol. IUPAC: 2-nitropropane.
Chemical Property Profile of Propane, 2-nitro-, ion(1-)
Property Insights of Propane, 2-nitro-, ion(1-)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane, 2-nitro-, ion(1-). With a topological polar surface area (TPSA) of 45.8 Ų, Propane, 2-nitro-, ion(1-) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propane, 2-nitro-, ion(1-) has 0 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 Propane, 2-nitro-, ion(1-)?
The CAS number of Propane, 2-nitro-, ion(1-) is 20846-00-8.
What is the molecular formula of Propane, 2-nitro-, ion(1-)?
The molecular formula of Propane, 2-nitro-, ion(1-) is C3H6NO2-.
What is the molecular weight of Propane, 2-nitro-, ion(1-)?
The molecular weight of Propane, 2-nitro-, ion(1-) is 88.04 g/mol.
Where can I buy Propane, 2-nitro-, ion(1-)?
You can request a quote for Propane, 2-nitro-, ion(1-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane, 2-nitro-, ion(1-)?
Yes, KEHONG BIO provides custom synthesis services for Propane, 2-nitro-, ion(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.