3-(Heptylamino)propanenitrile
TL;DR: 3-(Heptylamino)propanenitrile (CAS 101421-54-9) is a chemical compound with molecular formula C10H20N2 and molecular weight 168.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(heptylamino)propanenitrile
Also Known As: 3-(heptylamino)propanenitrile, 3-Heptylaminopropionitrile, 3-Heptylaminopropiononitrile, N-(2-Cyanoethyl)heptylamine
| Molecular Formula | C10H20N2 |
|---|---|
| Molecular Weight | 168.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 168.16264 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 101421-54-9 |
|---|---|
| SMILES | CCCCCCCNCCC#N |
| InChIKey | HXNAJGRYFVSWFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Heptylamino)propanenitrile (CAS 101421-54-9), with molecular formula C10H20N2 and molecular weight 168.16 g/mol. IUPAC: 3-(heptylamino)propanenitrile.
Chemical Property Profile of 3-(Heptylamino)propanenitrile
Property Insights of 3-(Heptylamino)propanenitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Heptylamino)propanenitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 3-(Heptylamino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Heptylamino)propanenitrile 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-(Heptylamino)propanenitrile?
The CAS number of 3-(Heptylamino)propanenitrile is 101421-54-9.
What is the molecular formula of 3-(Heptylamino)propanenitrile?
The molecular formula of 3-(Heptylamino)propanenitrile is C10H20N2.
What is the molecular weight of 3-(Heptylamino)propanenitrile?
The molecular weight of 3-(Heptylamino)propanenitrile is 168.16 g/mol.
Where can I buy 3-(Heptylamino)propanenitrile?
You can request a quote for 3-(Heptylamino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Heptylamino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Heptylamino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.