Iminodiacetonitrile
TL;DR: Iminodiacetonitrile (CAS 628-87-5) is a chemical compound with molecular formula C4H5N3 and molecular weight 95.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylamino)acetonitrile
Also Known As: Iminodiacetonitrile, 2,2'-Azanediyldiacetonitrile, 1,1'-Imidodiacetonitrile, Acetonitrile, iminodi-, Acetonitrile, 2,2'-iminobis-
| Molecular Formula | C4H5N3 |
|---|---|
| Molecular Weight | 95.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 95.04835 |
| Heavy Atoms | 7 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 628-87-5 |
|---|---|
| SMILES | C(C#N)NCC#N |
| InChIKey | BSRDNMMLQYNQQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iminodiacetonitrile (CAS 628-87-5), with molecular formula C4H5N3 and molecular weight 95.05 g/mol. IUPAC: 2-(cyanomethylamino)acetonitrile.
Chemical Property Profile of Iminodiacetonitrile
Property Insights of Iminodiacetonitrile
The XLogP value of -0.6 indicates that Iminodiacetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.6 Ų, Iminodiacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iminodiacetonitrile has 1 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 Iminodiacetonitrile?
The CAS number of Iminodiacetonitrile is 628-87-5.
What is the molecular formula of Iminodiacetonitrile?
The molecular formula of Iminodiacetonitrile is C4H5N3.
What is the molecular weight of Iminodiacetonitrile?
The molecular weight of Iminodiacetonitrile is 95.05 g/mol.
Where can I buy Iminodiacetonitrile?
You can request a quote for Iminodiacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iminodiacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Iminodiacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.