正戊腈
TL;DR: 正戊腈 (CAS 110-59-8) 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.
正戊腈
pentanenitrile
Also Known As: VALERONITRILE, Pentanenitrile, Butyl cyanide, n-Valeronitrile, 1-Cyanobutane
| 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 | 2 |
| Exact Mass | 83.0735 |
| Heavy Atoms | 6 |
| Complexity | 57.0 |
| Melting Point | -96.1 °C |
| Boiling Point | 282 to 141.1 °C at 760 mmHg |
| Density | 0.8008 at 20.0 °C - Less dense than water; will float |
| Solubility | 1 to 5 mg/mL at 72.5 °F (NTP, 1992) |
| Flash Point | 40.6 °C |
| Vapor Pressure | 5 mmHg at 18.1 °C ; 10 mmHg at 30.0 °C; 20 mmHg at 43.3 °C |
Chemical Identifiers
| CAS Number | 110-59-8 |
|---|---|
| SMILES | CCCCC#N |
| InChIKey | RFFFKMOABOFIDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正戊腈 (CAS 110-59-8), with molecular formula C5H9N and molecular weight 83.07 g/mol. IUPAC: pentanenitrile.
Chemical Property Profile of 正戊腈
Property Insights of 正戊腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 正戊腈. With a topological polar surface area (TPSA) of 23.8 Ų, 正戊腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 正戊腈 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 正戊腈?
The CAS number of 正戊腈 is 110-59-8.
What is the molecular formula of 正戊腈?
The molecular formula of 正戊腈 is C5H9N.
What is the molecular weight of 正戊腈?
The molecular weight of 正戊腈 is 83.07 g/mol.
Where can I buy 正戊腈?
You can request a quote for 正戊腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正戊腈?
Yes, KEHONG BIO provides custom synthesis services for 正戊腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.