1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline
TL;DR: 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline (CAS 66487-31-8) 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.
2-(3,4-dihydro-2H-quinolin-1-yl)acetonitrile
Also Known As: 2-(1,2,3,4-tetrahydroquinolin-1-yl)acetonitrile, 1-CyanoMethyl-1,2,3,4-tetrahydro-quinoline, 2-(3,4-dihydro-2H-quinolin-1-yl)acetonitrile, 2-(3,4-dihydroquinolin-1(2H)-yl)acetonitrile, 3,4-dihydroquinolin-1(2H)-ylacetonitrile
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 1.96278 |
| 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 | 338.18866 |
Chemical Identifiers
| CAS Number | 66487-31-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)CC#N |
Product Overview
1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline (CAS 66487-31-8), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 2-(3,4-dihydro-2H-quinolin-1-yl)acetonitrile.
Chemical Property Profile of 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline
Property Insights of 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline
The XLogP value of 1.96278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline. With a topological polar surface area (TPSA) of 27.03 Ų, 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline 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 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline?
The CAS number of 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline is 66487-31-8.
What is the molecular formula of 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline?
The molecular formula of 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline is C11H12N2.
What is the molecular weight of 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline?
The molecular weight of 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline is 172.10 g/mol.
Where can I buy 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline?
You can request a quote for 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.