![2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride structure](/static/products/105/1052411-11-6.webp)
2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride
TL;DR: 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride (CAS 1052411-11-6) is a chemical compound with molecular formula C12H17ClN2O and molecular weight 240.10294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(dimethylamino)propoxy]benzonitrile;hydrochloride
Also Known As: 2-(3-dimethylaminopropoxy)benzonitrile Hydrochloride, 2-[3-(dimethylamino)propoxy]benzonitrile hydrochloride, benzonitrile, 2-[3-(dimethylamino)propoxy]-, hydrochloride
Technical Specifications
| Molecular Formula | C12H17ClN2O |
| Molecular Weight | 240.10294 g/mol |
| XLogP | 2.31058 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.10294 Da |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
| SMILES | CN(C)CCCOC1=CC=CC=C1C#N.Cl |
| InChIKey | VLLXEVJAMYUACK-UHFFFAOYSA-N |
Chemical Property Profile of 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride
Property Insights of 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride
The XLogP value of 2.31058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride. With a topological polar surface area (TPSA) of 36.3 Ų, 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride?
The CAS number of 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride is 1052411-11-6.
What is the molecular formula of 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride?
The molecular formula of 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride is C12H17ClN2O.
What is the molecular weight of 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride?
The molecular weight of 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride is 240.10294 g/mol.
Where can I buy 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride?
You can request a quote for 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-[3-(Dimethylamino)propoxy]benzonitrile;hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.