2-甲基-2-亚硝基丙烷
TL;DR: 2-甲基-2-亚硝基丙烷 (CAS 917-95-3) is a chemical compound with molecular formula C4H9NO and molecular weight 87.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-2-亚硝基丙烷
2-methyl-2-nitrosopropane
Also Known As: 2-Methyl-2-nitrosopropane, tert-Nitrosobutane, Nitroso-tert-butane, nitrosoisobutane, 2-methyl-2-nitroso-propane
| Molecular Formula | C4H9NO |
|---|---|
| Molecular Weight | 87.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 87.06841 |
| Heavy Atoms | 6 |
| Complexity | 53.0 |
Chemical Identifiers
| CAS Number | 917-95-3 |
|---|---|
| SMILES | CC(C)(C)N=O |
| InChIKey | LUQZKEZPFQRRRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-2-亚硝基丙烷 (CAS 917-95-3), with molecular formula C4H9NO and molecular weight 87.07 g/mol. IUPAC: 2-methyl-2-nitrosopropane.
Chemical Property Profile of 2-甲基-2-亚硝基丙烷
Property Insights of 2-甲基-2-亚硝基丙烷
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-2-亚硝基丙烷. With a topological polar surface area (TPSA) of 29.4 Ų, 2-甲基-2-亚硝基丙烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-2-亚硝基丙烷 has 0 hydrogen bond donor(s) and 2 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-甲基-2-亚硝基丙烷?
The CAS number of 2-甲基-2-亚硝基丙烷 is 917-95-3.
What is the molecular formula of 2-甲基-2-亚硝基丙烷?
The molecular formula of 2-甲基-2-亚硝基丙烷 is C4H9NO.
What is the molecular weight of 2-甲基-2-亚硝基丙烷?
The molecular weight of 2-甲基-2-亚硝基丙烷 is 87.07 g/mol.
Where can I buy 2-甲基-2-亚硝基丙烷?
You can request a quote for 2-甲基-2-亚硝基丙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-2-亚硝基丙烷?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-2-亚硝基丙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.