2-Nitropropanol
TL;DR: 2-Nitropropanol (CAS 2902-96-7) is a chemical compound with molecular formula C3H7NO3 and molecular weight 105.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitropropan-1-ol
Also Known As: 2-Nitropropan-1-ol, 2-Nitro-1-propanol, 2-Nitropropanol, 1-Propanol, 2-nitro-, 2-Nitropropanol-1
| Molecular Formula | C3H7NO3 |
|---|---|
| Molecular Weight | 105.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.042595 |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 2902-96-7 |
|---|---|
| SMILES | CC(CO)[N+](=O)[O-] |
| InChIKey | PCNWBUOSTLGPMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitropropanol (CAS 2902-96-7), with molecular formula C3H7NO3 and molecular weight 105.04 g/mol. IUPAC: 2-nitropropan-1-ol.
Chemical Property Profile of 2-Nitropropanol
Property Insights of 2-Nitropropanol
The XLogP value of -0.3 indicates that 2-Nitropropanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitropropanol. Following Lipinski's Rule of Five, 2-Nitropropanol 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 2-Nitropropanol?
The CAS number of 2-Nitropropanol is 2902-96-7.
What is the molecular formula of 2-Nitropropanol?
The molecular formula of 2-Nitropropanol is C3H7NO3.
What is the molecular weight of 2-Nitropropanol?
The molecular weight of 2-Nitropropanol is 105.04 g/mol.
Where can I buy 2-Nitropropanol?
You can request a quote for 2-Nitropropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitropropanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitropropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.