4-((Pyrrolidin-1-yl)methyl)benzonitrile
TL;DR: 4-((Pyrrolidin-1-yl)methyl)benzonitrile (CAS 1017045-93-0) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(pyrrolidin-1-ylmethyl)benzonitrile
Also Known As: 4-(pyrrolidin-1-ylmethyl)benzonitrile, 4- BENZONITRILE, 4-[(pyrrolidin-1-yl)methyl]benzonitrile, 4-(pyrrolidin-1-ylmethyl)benzonitrile hydrochloride, Benzonitrile, 4-(1-pyrrolidinylmethyl)-
Technical Specifications
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.11569 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.11569 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | C1CCN(C1)CC2=CC=C(C=C2)C#N |
| InChIKey | CURIZTVQZBYWBR-UHFFFAOYSA-N |
Chemical Property Profile of 4-((Pyrrolidin-1-yl)methyl)benzonitrile
Property Insights of 4-((Pyrrolidin-1-yl)methyl)benzonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Pyrrolidin-1-yl)methyl)benzonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 4-((Pyrrolidin-1-yl)methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((Pyrrolidin-1-yl)methyl)benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((Pyrrolidin-1-yl)methyl)benzonitrile?
The CAS number of 4-((Pyrrolidin-1-yl)methyl)benzonitrile is 1017045-93-0.
What is the molecular formula of 4-((Pyrrolidin-1-yl)methyl)benzonitrile?
The molecular formula of 4-((Pyrrolidin-1-yl)methyl)benzonitrile is C12H14N2.
What is the molecular weight of 4-((Pyrrolidin-1-yl)methyl)benzonitrile?
The molecular weight of 4-((Pyrrolidin-1-yl)methyl)benzonitrile is 186.11569 g/mol.
Where can I buy 4-((Pyrrolidin-1-yl)methyl)benzonitrile?
You can request a quote for 4-((Pyrrolidin-1-yl)methyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((Pyrrolidin-1-yl)methyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-((Pyrrolidin-1-yl)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.