n-(2-Cyanoethyl)benzamide
TL;DR: n-(2-Cyanoethyl)benzamide (CAS 113362-00-8) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-cyanoethyl)benzamide
Also Known As: n-(2-cyanoethyl)benzamide, N-benzoyl-aminoethylcyanide, Benzamide, N-(2-cyanoethyl)-, Benzamide,N-(2-cyanoethyl), 3-(Benzoylamino)propansaeurenitril
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.07932 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.07932 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NCCC#N |
| InChIKey | GHZZJXFHIHMNSY-UHFFFAOYSA-N |
Chemical Property Profile of n-(2-Cyanoethyl)benzamide
Property Insights of n-(2-Cyanoethyl)benzamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(2-Cyanoethyl)benzamide. With a topological polar surface area (TPSA) of 52.9 Ų, n-(2-Cyanoethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(2-Cyanoethyl)benzamide 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
What is the CAS number of n-(2-Cyanoethyl)benzamide?
The CAS number of n-(2-Cyanoethyl)benzamide is 113362-00-8.
What is the molecular formula of n-(2-Cyanoethyl)benzamide?
The molecular formula of n-(2-Cyanoethyl)benzamide is C10H10N2O.
What is the molecular weight of n-(2-Cyanoethyl)benzamide?
The molecular weight of n-(2-Cyanoethyl)benzamide is 174.07932 g/mol.
Where can I buy n-(2-Cyanoethyl)benzamide?
You can request a quote for n-(2-Cyanoethyl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-(2-Cyanoethyl)benzamide?
Yes, CoreyChem provides custom synthesis services for n-(2-Cyanoethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.