新戊腈
TL;DR: 新戊腈 (CAS 630-18-2) is a chemical compound with molecular formula C5H9N and molecular weight 83.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新戊腈
2,2-dimethylpropanenitrile
Also Known As: Pivalonitrile, TRIMETHYLACETONITRILE, 2,2-Dimethylpropanenitrile, tert-Butyl cyanide, tert-Butylnitrile
| Molecular Formula | C5H9N |
|---|---|
| Molecular Weight | 83.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 83.0735 |
| Heavy Atoms | 6 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 630-18-2 |
|---|---|
| SMILES | CC(C)(C)C#N |
| InChIKey | JAMNHZBIQDNHMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新戊腈 (CAS 630-18-2), with molecular formula C5H9N and molecular weight 83.07 g/mol. IUPAC: 2,2-dimethylpropanenitrile.
Chemical Property Profile of 新戊腈
Property Insights of 新戊腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新戊腈. With a topological polar surface area (TPSA) of 23.8 Ų, 新戊腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新戊腈 has 0 hydrogen bond donor(s) and 1 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 新戊腈?
The CAS number of 新戊腈 is 630-18-2.
What is the molecular formula of 新戊腈?
The molecular formula of 新戊腈 is C5H9N.
What is the molecular weight of 新戊腈?
The molecular weight of 新戊腈 is 83.07 g/mol.
Where can I buy 新戊腈?
You can request a quote for 新戊腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新戊腈?
Yes, KEHONG BIO provides custom synthesis services for 新戊腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.