N-(Cyanomethyl)acetamide
TL;DR: N-(Cyanomethyl)acetamide (CAS 4814-80-6) is a chemical compound with molecular formula C4H6N2O and molecular weight 98.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)acetamide
Also Known As: N-(Cyanomethyl)acetamide, N- acetamide, Aceturic acid nitrile, N-acetylaminoacetonitrile, Acetamide, N-(cyanomethyl)-
| Molecular Formula | C4H6N2O |
|---|---|
| Molecular Weight | 98.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.04801 |
| Heavy Atoms | 7 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 4814-80-6 |
|---|---|
| SMILES | CC(=O)NCC#N |
| InChIKey | LHWCUMYXUCPQSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Cyanomethyl)acetamide (CAS 4814-80-6), with molecular formula C4H6N2O and molecular weight 98.05 g/mol. IUPAC: N-(cyanomethyl)acetamide.
Chemical Property Profile of N-(Cyanomethyl)acetamide
Property Insights of N-(Cyanomethyl)acetamide
The XLogP value of -0.7 indicates that N-(Cyanomethyl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.9 Ų, N-(Cyanomethyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Cyanomethyl)acetamide 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
Frequently Asked Questions
What is the CAS number of N-(Cyanomethyl)acetamide?
The CAS number of N-(Cyanomethyl)acetamide is 4814-80-6.
What is the molecular formula of N-(Cyanomethyl)acetamide?
The molecular formula of N-(Cyanomethyl)acetamide is C4H6N2O.
What is the molecular weight of N-(Cyanomethyl)acetamide?
The molecular weight of N-(Cyanomethyl)acetamide is 98.05 g/mol.
Where can I buy N-(Cyanomethyl)acetamide?
You can request a quote for N-(Cyanomethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Cyanomethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Cyanomethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.