Benzeneacetonitrile, 2-(4-morpholinyl)-
TL;DR: Benzeneacetonitrile, 2-(4-morpholinyl)- (CAS 87698-86-0) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-morpholin-4-ylphenyl)acetonitrile
Also Known As: 2-(2-Morpholinophenyl)acetonitrile, 2-(4-Morpholinyl)benzeneacetonitrile, Benzeneacetonitrile, 2-(4-morpholinyl)-, 2-(2-morpholin-4-ylphenyl)acetonitrile, (2-Morpholin-4-yl-phenyl)-acetonitrile
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.58928 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 364.13004 |
Chemical Identifiers
| CAS Number | 87698-86-0 |
|---|---|
| SMILES | C1COCCN1C2=CC=CC=C2CC#N |
Product Overview
Benzeneacetonitrile, 2-(4-morpholinyl)- (CAS 87698-86-0), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 2-(2-morpholin-4-ylphenyl)acetonitrile.
Chemical Property Profile of Benzeneacetonitrile, 2-(4-morpholinyl)-
Property Insights of Benzeneacetonitrile, 2-(4-morpholinyl)-
The XLogP value of 1.58928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, 2-(4-morpholinyl)-. With a topological polar surface area (TPSA) of 36.26 Ų, Benzeneacetonitrile, 2-(4-morpholinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, 2-(4-morpholinyl)- 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 Benzeneacetonitrile, 2-(4-morpholinyl)-?
The CAS number of Benzeneacetonitrile, 2-(4-morpholinyl)- is 87698-86-0.
What is the molecular formula of Benzeneacetonitrile, 2-(4-morpholinyl)-?
The molecular formula of Benzeneacetonitrile, 2-(4-morpholinyl)- is C12H14N2O.
What is the molecular weight of Benzeneacetonitrile, 2-(4-morpholinyl)-?
The molecular weight of Benzeneacetonitrile, 2-(4-morpholinyl)- is 202.11 g/mol.
Where can I buy Benzeneacetonitrile, 2-(4-morpholinyl)-?
You can request a quote for Benzeneacetonitrile, 2-(4-morpholinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, 2-(4-morpholinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, 2-(4-morpholinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.