Nitrous acid, 2,2-dimethylpropyl ester
TL;DR: Nitrous acid, 2,2-dimethylpropyl ester (CAS 77212-96-5) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl nitrite
Also Known As: 2,2-dimethylpropyl nitrite, neo-Pentyl nitrite, Nitrous acid, 2,2-dimethylpropyl ester, 2,2-dimethyl-1-nitrosooxy-propane, J3.744.810I
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 77212-96-5 |
|---|---|
| SMILES | CC(C)(C)CON=O |
| InChIKey | YIGAWISCEHGPRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitrous acid, 2,2-dimethylpropyl ester (CAS 77212-96-5), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: 2,2-dimethylpropyl nitrite.
Chemical Property Profile of Nitrous acid, 2,2-dimethylpropyl ester
Property Insights of Nitrous acid, 2,2-dimethylpropyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrous acid, 2,2-dimethylpropyl ester. With a topological polar surface area (TPSA) of 38.7 Ų, Nitrous acid, 2,2-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitrous acid, 2,2-dimethylpropyl ester 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 Nitrous acid, 2,2-dimethylpropyl ester?
The CAS number of Nitrous acid, 2,2-dimethylpropyl ester is 77212-96-5.
What is the molecular formula of Nitrous acid, 2,2-dimethylpropyl ester?
The molecular formula of Nitrous acid, 2,2-dimethylpropyl ester is C5H11NO2.
What is the molecular weight of Nitrous acid, 2,2-dimethylpropyl ester?
The molecular weight of Nitrous acid, 2,2-dimethylpropyl ester is 117.08 g/mol.
Where can I buy Nitrous acid, 2,2-dimethylpropyl ester?
You can request a quote for Nitrous acid, 2,2-dimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrous acid, 2,2-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nitrous acid, 2,2-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.