3-(2-Cyanoethylamino)propanenitrile;hydrochloride
TL;DR: 3-(2-Cyanoethylamino)propanenitrile;hydrochloride (CAS 16688-98-5) is a chemical compound with molecular formula C6H10ClN3 and molecular weight 159.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-cyanoethylamino)propanenitrile;hydrochloride
Also Known As: Noname, 3-(2-cyanoethylamino)propanenitrile, 3,3'-Iminodipropionitril-hydrochlorid, 3,3'-Imino-di-propionitril,Hydrochlorid, 3-(2-cyanoethylamino)propanenitrile Hydrochloride
| Molecular Formula | C6H10ClN3 |
|---|---|
| Molecular Weight | 159.06 g/mol |
| LogP | 0.82516 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.05632 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 16688-98-5 |
|---|---|
| SMILES | C(CNCCC#N)C#N.Cl |
| InChIKey | OORIBFQBJDBZCR-UHFFFAOYSA-N |
Product Overview
3-(2-Cyanoethylamino)propanenitrile;hydrochloride (CAS 16688-98-5), with molecular formula C6H10ClN3 and molecular weight 159.06 g/mol. IUPAC: 3-(2-cyanoethylamino)propanenitrile;hydrochloride.
Chemical Property Profile of 3-(2-Cyanoethylamino)propanenitrile;hydrochloride
Property Insights of 3-(2-Cyanoethylamino)propanenitrile;hydrochloride
The XLogP value of 0.82516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Cyanoethylamino)propanenitrile;hydrochloride. With a topological polar surface area (TPSA) of 59.6 Ų, 3-(2-Cyanoethylamino)propanenitrile;hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Cyanoethylamino)propanenitrile;hydrochloride has 2 hydrogen bond donor(s) and 3 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-(2-Cyanoethylamino)propanenitrile;hydrochloride?
The CAS number of 3-(2-Cyanoethylamino)propanenitrile;hydrochloride is 16688-98-5.
What is the molecular formula of 3-(2-Cyanoethylamino)propanenitrile;hydrochloride?
The molecular formula of 3-(2-Cyanoethylamino)propanenitrile;hydrochloride is C6H10ClN3.
What is the molecular weight of 3-(2-Cyanoethylamino)propanenitrile;hydrochloride?
The molecular weight of 3-(2-Cyanoethylamino)propanenitrile;hydrochloride is 159.06 g/mol.
Where can I buy 3-(2-Cyanoethylamino)propanenitrile;hydrochloride?
You can request a quote for 3-(2-Cyanoethylamino)propanenitrile;hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Cyanoethylamino)propanenitrile;hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Cyanoethylamino)propanenitrile;hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.