3-Butyl-3-propylnonanenitrile
TL;DR: 3-Butyl-3-propylnonanenitrile (CAS 7621-76-3) is a chemical compound with molecular formula C16H31N and molecular weight 237.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-3-propylnonanenitrile
Also Known As: 3-butyl-3-propylnonanenitrile
| Molecular Formula | C16H31N |
|---|---|
| Molecular Weight | 237.25 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 237.24565 |
| Heavy Atoms | 17 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 7621-76-3 |
|---|---|
| SMILES | CCCCCCC(CCC)(CCCC)CC#N |
| InChIKey | KFYVODJSHSJAAF-UHFFFAOYSA-N |
Product Overview
3-Butyl-3-propylnonanenitrile (CAS 7621-76-3), with molecular formula C16H31N and molecular weight 237.25 g/mol. IUPAC: 3-butyl-3-propylnonanenitrile.
Chemical Property Profile of 3-Butyl-3-propylnonanenitrile
Property Insights of 3-Butyl-3-propylnonanenitrile
The XLogP value of 7.1 indicates that 3-Butyl-3-propylnonanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-Butyl-3-propylnonanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-3-propylnonanenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Butyl-3-propylnonanenitrile?
The CAS number of 3-Butyl-3-propylnonanenitrile is 7621-76-3.
What is the molecular formula of 3-Butyl-3-propylnonanenitrile?
The molecular formula of 3-Butyl-3-propylnonanenitrile is C16H31N.
What is the molecular weight of 3-Butyl-3-propylnonanenitrile?
The molecular weight of 3-Butyl-3-propylnonanenitrile is 237.25 g/mol.
Where can I buy 3-Butyl-3-propylnonanenitrile?
You can request a quote for 3-Butyl-3-propylnonanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-3-propylnonanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-3-propylnonanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.