4-(1-Pyrrolidinyl)benzonitrile
TL;DR: 4-(1-Pyrrolidinyl)benzonitrile (CAS 10282-30-1) 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.
4-pyrrolidin-1-ylbenzonitrile
Also Known As: 4-(PYRROLIDIN-1-YL)BENZONITRILE, 4-(1-pyrrolidinyl)benzonitrile, 4-pyrrolidin-1-ylbenzonitrile, 4-Pyrrolidiobenzonitrile, 4-pyrrolidinobenzonitrile
| 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 | 314.93866 |
Chemical Identifiers
| CAS Number | 10282-30-1 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=C(C=C2)C#N |
Product Overview
4-(1-Pyrrolidinyl)benzonitrile (CAS 10282-30-1), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 4-pyrrolidin-1-ylbenzonitrile.
Chemical Property Profile of 4-(1-Pyrrolidinyl)benzonitrile
Property Insights of 4-(1-Pyrrolidinyl)benzonitrile
The XLogP value of 2.15848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Pyrrolidinyl)benzonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 4-(1-Pyrrolidinyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Pyrrolidinyl)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
Frequently Asked Questions
What is the CAS number of 4-(1-Pyrrolidinyl)benzonitrile?
The CAS number of 4-(1-Pyrrolidinyl)benzonitrile is 10282-30-1.
What is the molecular formula of 4-(1-Pyrrolidinyl)benzonitrile?
The molecular formula of 4-(1-Pyrrolidinyl)benzonitrile is C11H12N2.
What is the molecular weight of 4-(1-Pyrrolidinyl)benzonitrile?
The molecular weight of 4-(1-Pyrrolidinyl)benzonitrile is 172.10 g/mol.
Where can I buy 4-(1-Pyrrolidinyl)benzonitrile?
You can request a quote for 4-(1-Pyrrolidinyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Pyrrolidinyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Pyrrolidinyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.