2-Propylvaleronitrile
TL;DR: 2-Propylvaleronitrile (CAS 13310-75-3) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylpentanenitrile
Also Known As: 2-Propylvaleronitrile, 2-propylpentanenitrile, 4-cyanoheptane, Pentanenitrile, 2-propyl-, Dipropyl acetonitrile
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 13310-75-3 |
|---|---|
| SMILES | CCCC(CCC)C#N |
| InChIKey | YCBOPMITSGZJDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propylvaleronitrile (CAS 13310-75-3), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: 2-propylpentanenitrile.
Chemical Property Profile of 2-Propylvaleronitrile
Property Insights of 2-Propylvaleronitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propylvaleronitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Propylvaleronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propylvaleronitrile 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 2-Propylvaleronitrile?
The CAS number of 2-Propylvaleronitrile is 13310-75-3.
What is the molecular formula of 2-Propylvaleronitrile?
The molecular formula of 2-Propylvaleronitrile is C8H15N.
What is the molecular weight of 2-Propylvaleronitrile?
The molecular weight of 2-Propylvaleronitrile is 125.12 g/mol.
Where can I buy 2-Propylvaleronitrile?
You can request a quote for 2-Propylvaleronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propylvaleronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Propylvaleronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.