2-Cyanomethyl-1,2,3,4-tetrahydroquinoline
TL;DR: 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline (CAS 5100-75-4) 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.
2-(1,2,3,4-tetrahydroquinolin-2-yl)acetonitrile
Also Known As: 2-Cyanomethyltetrahydroquinoline, 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline, 2-Quinolineacetonitrile, 1,2,3,4-tetrahydro-, 1,2,3,4-Tetrahydro-2-quinolinylacetonitrile #, 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetonitrile
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 5100-75-4 |
|---|---|
| SMILES | C1CC2=CC=CC=C2NC1CC#N |
| InChIKey | QZTBXCDPHAWCOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyanomethyl-1,2,3,4-tetrahydroquinoline (CAS 5100-75-4), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetonitrile.
Chemical Property Profile of 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline
Property Insights of 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline. With a topological polar surface area (TPSA) of 35.8 Ų, 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline has 1 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 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline?
The CAS number of 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline is 5100-75-4.
What is the molecular formula of 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline?
The molecular formula of 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline is C11H12N2.
What is the molecular weight of 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline?
The molecular weight of 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline is 172.10 g/mol.
Where can I buy 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline?
You can request a quote for 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanomethyl-1,2,3,4-tetrahydroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.