3-Pyrrolidin-1-ylbenzonitrile
TL;DR: 3-Pyrrolidin-1-ylbenzonitrile (CAS 175696-73-8) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrolidin-1-ylbenzonitrile
Also Known As: 3-pyrrolidin-1-ylbenzonitrile, 3-(pyrrolidin-1-yl)benzonitrile, Benzonitrile, 3-(1-pyrrolidinyl)-, 3-Pyrrolizinobenzonitrile, n-(3-cyanophenyl)pyrrolidine
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 2.15848 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 332.18866 |
Chemical Identifiers
| CAS Number | 175696-73-8 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=CC(=C2)C#N |
Product Overview
3-Pyrrolidin-1-ylbenzonitrile (CAS 175696-73-8), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 3-pyrrolidin-1-ylbenzonitrile.
Chemical Property Profile of 3-Pyrrolidin-1-ylbenzonitrile
Property Insights of 3-Pyrrolidin-1-ylbenzonitrile
The XLogP value of 2.15848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrrolidin-1-ylbenzonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 3-Pyrrolidin-1-ylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrrolidin-1-ylbenzonitrile 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
Frequently Asked Questions
What is the CAS number of 3-Pyrrolidin-1-ylbenzonitrile?
The CAS number of 3-Pyrrolidin-1-ylbenzonitrile is 175696-73-8.
What is the molecular formula of 3-Pyrrolidin-1-ylbenzonitrile?
The molecular formula of 3-Pyrrolidin-1-ylbenzonitrile is C11H12N2.
What is the molecular weight of 3-Pyrrolidin-1-ylbenzonitrile?
The molecular weight of 3-Pyrrolidin-1-ylbenzonitrile is 172.10 g/mol.
Where can I buy 3-Pyrrolidin-1-ylbenzonitrile?
You can request a quote for 3-Pyrrolidin-1-ylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrrolidin-1-ylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrrolidin-1-ylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.