2-Nitro-1-butanol
TL;DR: 2-Nitro-1-butanol (CAS 609-31-4) is a chemical compound with molecular formula C4H9NO3 and molecular weight 119.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobutan-1-ol
Also Known As: 2-Nitrobutanol, 2-NITRO-1-BUTANOL, 2-Nitrobutan-1-ol, 1-Butanol, 2-nitro-, Caswell No. 601
| Molecular Formula | C4H9NO3 |
|---|---|
| Molecular Weight | 119.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.05824 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
| Melting Point | -47.2 °C |
| Boiling Point | 105.0 °C at 10 mmHg |
| Density | 1.1332 at 25.0 °C |
| Solubility | 10 to 50 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Vapor Pressure | 10 mmHg at 105.0 °C |
Chemical Identifiers
| CAS Number | 609-31-4 |
|---|---|
| SMILES | CCC(CO)[N+](=O)[O-] |
| InChIKey | MHIHRIPETCJEMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-1-butanol (CAS 609-31-4), with molecular formula C4H9NO3 and molecular weight 119.06 g/mol. IUPAC: 2-nitrobutan-1-ol.
Chemical Property Profile of 2-Nitro-1-butanol
Property Insights of 2-Nitro-1-butanol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-1-butanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-1-butanol. Following Lipinski's Rule of Five, 2-Nitro-1-butanol 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-Nitro-1-butanol?
The CAS number of 2-Nitro-1-butanol is 609-31-4.
What is the molecular formula of 2-Nitro-1-butanol?
The molecular formula of 2-Nitro-1-butanol is C4H9NO3.
What is the molecular weight of 2-Nitro-1-butanol?
The molecular weight of 2-Nitro-1-butanol is 119.06 g/mol.
Where can I buy 2-Nitro-1-butanol?
You can request a quote for 2-Nitro-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.