3-Octadecylaminopropiononitrile
TL;DR: 3-Octadecylaminopropiononitrile (CAS 6281-72-7) is a chemical compound with molecular formula C21H42N2 and molecular weight 322.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(octadecylamino)propanenitrile
Also Known As: 3-Octadecylaminopropiononitrile, 3-(octadecylamino)propanenitrile, Propanenitrile, 3-(octadecylamino)-, N-octadecyl-3-aminopropionitrile, Propanenitrile,3-(octadecylamino)-
| Molecular Formula | C21H42N2 |
|---|---|
| Molecular Weight | 322.33 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 322.3348 |
| Heavy Atoms | 23 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 6281-72-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNCCC#N |
| InChIKey | GUBPKKGRODRXPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Octadecylaminopropiononitrile (CAS 6281-72-7), with molecular formula C21H42N2 and molecular weight 322.33 g/mol. IUPAC: 3-(octadecylamino)propanenitrile.
Chemical Property Profile of 3-Octadecylaminopropiononitrile
Property Insights of 3-Octadecylaminopropiononitrile
The XLogP value of 8.3 indicates that 3-Octadecylaminopropiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, 3-Octadecylaminopropiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octadecylaminopropiononitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Octadecylaminopropiononitrile?
The CAS number of 3-Octadecylaminopropiononitrile is 6281-72-7.
What is the molecular formula of 3-Octadecylaminopropiononitrile?
The molecular formula of 3-Octadecylaminopropiononitrile is C21H42N2.
What is the molecular weight of 3-Octadecylaminopropiononitrile?
The molecular weight of 3-Octadecylaminopropiononitrile is 322.33 g/mol.
Where can I buy 3-Octadecylaminopropiononitrile?
You can request a quote for 3-Octadecylaminopropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octadecylaminopropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Octadecylaminopropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.