2,2'-Iminobis(propanenitrile)
TL;DR: 2,2'-Iminobis(propanenitrile) (CAS 2869-25-2) is a chemical compound with molecular formula C6H9N3 and molecular weight 123.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-cyanoethylamino)propanenitrile
Also Known As: 2,2'-Iminobispropiononitrile, 2,2'-Iminodipropionitrile, Di(1-cianoetil)ammina, 2-(1-cyanoethylamino)propanenitrile, starbld0022770
| Molecular Formula | C6H9N3 |
|---|---|
| Molecular Weight | 123.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.07965 |
| Heavy Atoms | 9 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 2869-25-2 |
|---|---|
| SMILES | CC(C#N)NC(C)C#N |
| InChIKey | DABJAQQQVTVZMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-Iminobis(propanenitrile) (CAS 2869-25-2), with molecular formula C6H9N3 and molecular weight 123.08 g/mol. IUPAC: 2-(1-cyanoethylamino)propanenitrile.
Chemical Property Profile of 2,2'-Iminobis(propanenitrile)
Property Insights of 2,2'-Iminobis(propanenitrile)
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-Iminobis(propanenitrile). With a topological polar surface area (TPSA) of 59.6 Ų, 2,2'-Iminobis(propanenitrile) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-Iminobis(propanenitrile) 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 2,2'-Iminobis(propanenitrile)?
The CAS number of 2,2'-Iminobis(propanenitrile) is 2869-25-2.
What is the molecular formula of 2,2'-Iminobis(propanenitrile)?
The molecular formula of 2,2'-Iminobis(propanenitrile) is C6H9N3.
What is the molecular weight of 2,2'-Iminobis(propanenitrile)?
The molecular weight of 2,2'-Iminobis(propanenitrile) is 123.08 g/mol.
Where can I buy 2,2'-Iminobis(propanenitrile)?
You can request a quote for 2,2'-Iminobis(propanenitrile) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Iminobis(propanenitrile)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Iminobis(propanenitrile) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.