Acetonitrile, (methylimino)di-
TL;DR: Acetonitrile, (methylimino)di- (CAS 5423-24-5) is a chemical compound with molecular formula C5H7N3 and molecular weight 109.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyanomethyl(methyl)amino]acetonitrile
Also Known As: Acetonitrile, (methylimino)di-, Acetonitrile, di-, 2-[cyanomethyl(methyl)amino]acetonitrile, Methyl-diglykolamidsaeure-dinitril, 2,2'-(methylazanediyl)diacetonitrile
| Molecular Formula | C5H7N3 |
|---|---|
| Molecular Weight | 109.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 109.063995 |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 5423-24-5 |
|---|---|
| SMILES | CN(CC#N)CC#N |
| InChIKey | ODHFXNCHFIWUCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetonitrile, (methylimino)di- (CAS 5423-24-5), with molecular formula C5H7N3 and molecular weight 109.06 g/mol. IUPAC: 2-[cyanomethyl(methyl)amino]acetonitrile.
Chemical Property Profile of Acetonitrile, (methylimino)di-
Property Insights of Acetonitrile, (methylimino)di-
The XLogP value of -0.2 indicates that Acetonitrile, (methylimino)di- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.8 Ų, Acetonitrile, (methylimino)di- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, (methylimino)di- 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 Acetonitrile, (methylimino)di-?
The CAS number of Acetonitrile, (methylimino)di- is 5423-24-5.
What is the molecular formula of Acetonitrile, (methylimino)di-?
The molecular formula of Acetonitrile, (methylimino)di- is C5H7N3.
What is the molecular weight of Acetonitrile, (methylimino)di-?
The molecular weight of Acetonitrile, (methylimino)di- is 109.06 g/mol.
Where can I buy Acetonitrile, (methylimino)di-?
You can request a quote for Acetonitrile, (methylimino)di- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, (methylimino)di-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (methylimino)di- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.