2-Morpholino-2-(p-tolyl)acetonitrile
TL;DR: 2-Morpholino-2-(p-tolyl)acetonitrile (CAS 42419-53-4) 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-methylphenyl)-2-morpholin-4-ylacetonitrile
Also Known As: 2-morpholino-2-(p-tolyl)acetonitrile, ChemDiv2_002884, 4-Methylphenylmorpholinoacetonitrile, 2-(4-Methylphenyl)-2-(morpholin-4-yl)acetonitrile, 2-MORPHOLINO-2- ACETONITRILE
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.8919 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 373.9142 |
Chemical Identifiers
| CAS Number | 42419-53-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C#N)N2CCOCC2 |
Product Overview
2-Morpholino-2-(p-tolyl)acetonitrile (CAS 42419-53-4), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile.
Chemical Property Profile of 2-Morpholino-2-(p-tolyl)acetonitrile
Property Insights of 2-Morpholino-2-(p-tolyl)acetonitrile
The XLogP value of 1.8919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Morpholino-2-(p-tolyl)acetonitrile. With a topological polar surface area (TPSA) of 36.26 Ų, 2-Morpholino-2-(p-tolyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Morpholino-2-(p-tolyl)acetonitrile 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 2-Morpholino-2-(p-tolyl)acetonitrile?
The CAS number of 2-Morpholino-2-(p-tolyl)acetonitrile is 42419-53-4.
What is the molecular formula of 2-Morpholino-2-(p-tolyl)acetonitrile?
The molecular formula of 2-Morpholino-2-(p-tolyl)acetonitrile is C13H16N2O.
What is the molecular weight of 2-Morpholino-2-(p-tolyl)acetonitrile?
The molecular weight of 2-Morpholino-2-(p-tolyl)acetonitrile is 216.13 g/mol.
Where can I buy 2-Morpholino-2-(p-tolyl)acetonitrile?
You can request a quote for 2-Morpholino-2-(p-tolyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Morpholino-2-(p-tolyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Morpholino-2-(p-tolyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.