4-Benzyl-2-morpholineacetonitrile
TL;DR: 4-Benzyl-2-morpholineacetonitrile (CAS 57962-45-5) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylmorpholin-2-yl)acetonitrile
Also Known As: 4-Benzyl-2-morpholineacetonitrile, 2-(4-benzylmorpholin-2-yl)acetonitrile, (4-BENZYLMORPHOLIN-2-YL)ACETONITRILE, 4-benzyl-2-cyanomethylmorpholine, 4-benzyl-2-(cyanomethyl)morpholine
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.80108 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 357.94537 |
Chemical Identifiers
| CAS Number | 57962-45-5 |
|---|---|
| SMILES | C1COC(CN1CC2=CC=CC=C2)CC#N |
Product Overview
4-Benzyl-2-morpholineacetonitrile (CAS 57962-45-5), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 2-(4-benzylmorpholin-2-yl)acetonitrile.
Chemical Property Profile of 4-Benzyl-2-morpholineacetonitrile
Property Insights of 4-Benzyl-2-morpholineacetonitrile
The XLogP value of 1.80108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-2-morpholineacetonitrile. With a topological polar surface area (TPSA) of 36.26 Ų, 4-Benzyl-2-morpholineacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-2-morpholineacetonitrile has 0 hydrogen bond donor(s) and 3 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-Benzyl-2-morpholineacetonitrile?
The CAS number of 4-Benzyl-2-morpholineacetonitrile is 57962-45-5.
What is the molecular formula of 4-Benzyl-2-morpholineacetonitrile?
The molecular formula of 4-Benzyl-2-morpholineacetonitrile is C13H16N2O.
What is the molecular weight of 4-Benzyl-2-morpholineacetonitrile?
The molecular weight of 4-Benzyl-2-morpholineacetonitrile is 216.13 g/mol.
Where can I buy 4-Benzyl-2-morpholineacetonitrile?
You can request a quote for 4-Benzyl-2-morpholineacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-2-morpholineacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-2-morpholineacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.