1-Methylpropyl nitrite
TL;DR: 1-Methylpropyl nitrite (CAS 924-43-6) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl nitrite
Also Known As: sec-Butyl nitrite, butan-2-yl nitrite, s-butyl nitrite, Nitrous acid, 1-methylpropyl ester, Nitrous acid, sec-butyl ester
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 924-43-6 |
|---|---|
| SMILES | CCC(C)ON=O |
| InChIKey | NFGNZNFBQAGBJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylpropyl nitrite (CAS 924-43-6), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: butan-2-yl nitrite.
Chemical Property Profile of 1-Methylpropyl nitrite
Property Insights of 1-Methylpropyl nitrite
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpropyl nitrite. With a topological polar surface area (TPSA) of 38.7 Ų, 1-Methylpropyl nitrite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpropyl nitrite 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 1-Methylpropyl nitrite?
The CAS number of 1-Methylpropyl nitrite is 924-43-6.
What is the molecular formula of 1-Methylpropyl nitrite?
The molecular formula of 1-Methylpropyl nitrite is C4H9NO2.
What is the molecular weight of 1-Methylpropyl nitrite?
The molecular weight of 1-Methylpropyl nitrite is 103.06 g/mol.
Where can I buy 1-Methylpropyl nitrite?
You can request a quote for 1-Methylpropyl nitrite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpropyl nitrite?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpropyl nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.