2-(Morpholinomethyl)benzonitrile
TL;DR: 2-(Morpholinomethyl)benzonitrile (CAS 37812-33-2) 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-(morpholin-4-ylmethyl)benzonitrile
Also Known As: 2-(morpholin-4-ylmethyl)benzonitrile, 2-(Morpholinomethyl)benzonitrile, 2- BENZONITRILE, 2-[(Morpholin-4-yl)methyl]benzonitrile, 2-morpholin-4-ylmethyl-benzonitrile
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.39048 |
| 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 | 37812-33-2 |
|---|---|
| SMILES | C1COCCN1CC2=CC=CC=C2C#N |
Product Overview
2-(Morpholinomethyl)benzonitrile (CAS 37812-33-2), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 2-(morpholin-4-ylmethyl)benzonitrile.
Chemical Property Profile of 2-(Morpholinomethyl)benzonitrile
Property Insights of 2-(Morpholinomethyl)benzonitrile
The XLogP value of 1.39048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Morpholinomethyl)benzonitrile. With a topological polar surface area (TPSA) of 36.26 Ų, 2-(Morpholinomethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Morpholinomethyl)benzonitrile 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-(Morpholinomethyl)benzonitrile?
The CAS number of 2-(Morpholinomethyl)benzonitrile is 37812-33-2.
What is the molecular formula of 2-(Morpholinomethyl)benzonitrile?
The molecular formula of 2-(Morpholinomethyl)benzonitrile is C12H14N2O.
What is the molecular weight of 2-(Morpholinomethyl)benzonitrile?
The molecular weight of 2-(Morpholinomethyl)benzonitrile is 202.11 g/mol.
Where can I buy 2-(Morpholinomethyl)benzonitrile?
You can request a quote for 2-(Morpholinomethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Morpholinomethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Morpholinomethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.