3-(Octylamino)propiononitrile
TL;DR: 3-(Octylamino)propiononitrile (CAS 29504-89-0) is a chemical compound with molecular formula C11H22N2 and molecular weight 182.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(octylamino)propanenitrile
Also Known As: 3-(Octylamino)propionitrile, 3-(Octylamino)propanenitrile, Propanenitrile, 3-(octylamino)-, 3-(Octylamino)propiononitrile, 3-Octylaminopropionitrile
| Molecular Formula | C11H22N2 |
|---|---|
| Molecular Weight | 182.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 182.1783 |
| Heavy Atoms | 13 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 29504-89-0 |
|---|---|
| SMILES | CCCCCCCCNCCC#N |
| InChIKey | AFXXFNVAHYRPIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Octylamino)propiononitrile (CAS 29504-89-0), with molecular formula C11H22N2 and molecular weight 182.18 g/mol. IUPAC: 3-(octylamino)propanenitrile.
Chemical Property Profile of 3-(Octylamino)propiononitrile
Property Insights of 3-(Octylamino)propiononitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Octylamino)propiononitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 3-(Octylamino)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Octylamino)propiononitrile has 1 hydrogen bond donor(s) and 2 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 3-(Octylamino)propiononitrile?
The CAS number of 3-(Octylamino)propiononitrile is 29504-89-0.
What is the molecular formula of 3-(Octylamino)propiononitrile?
The molecular formula of 3-(Octylamino)propiononitrile is C11H22N2.
What is the molecular weight of 3-(Octylamino)propiononitrile?
The molecular weight of 3-(Octylamino)propiononitrile is 182.18 g/mol.
Where can I buy 3-(Octylamino)propiononitrile?
You can request a quote for 3-(Octylamino)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Octylamino)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Octylamino)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.