(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride
TL;DR: (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride (CAS 627098-24-2) is a chemical compound with molecular formula C11H13ClN2 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile;hydrochloride
Also Known As: (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride, 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile Hydrochloride, 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile;hydrochloride, (1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile hydrochloride, 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile,hydrochloride
| Molecular Formula | C11H13ClN2 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 2.20888 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.07672 |
| Heavy Atoms | 14 |
| Complexity | 343.38593 |
Chemical Identifiers
| CAS Number | 627098-24-2 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)CC#N.Cl |
Product Overview
(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride (CAS 627098-24-2), with molecular formula C11H13ClN2 and molecular weight 208.08 g/mol. IUPAC: 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile;hydrochloride.
Chemical Property Profile of (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride
Property Insights of (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride
The XLogP value of 2.20888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride. With a topological polar surface area (TPSA) of 35.82 Ų, (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride 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 (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride?
The CAS number of (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride is 627098-24-2.
What is the molecular formula of (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride?
The molecular formula of (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride is C11H13ClN2.
What is the molecular weight of (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride?
The molecular weight of (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride is 208.08 g/mol.
Where can I buy (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride?
You can request a quote for (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.