3,3'-Iminodipropionitrile
TL;DR: 3,3'-Iminodipropionitrile (CAS 111-94-4) is a chemical compound with molecular formula C6H9N3 and molecular weight 123.07965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-cyanoethylamino)propanenitrile
Also Known As: 3,3'-Iminodipropionitrile, Bis(2-cyanoethyl)amine, Iminodipropanenitrile, IDPN, BBCE
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H9N3 |
| Molecular Weight | 123.07965 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 123.07965 Da |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| Melting Point | 21 °F (NTP, 1992) |
| Boiling Point | 343 °F at 10 mmHg (NTP, 1992) |
| Density | 1.02 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 230 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 284 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4700 @ 20 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C(CNCCC#N)C#N |
| InChIKey | SBAJRGRUGUQKAF-UHFFFAOYSA-N |
Product Description
Applications: 3,3'-Iminodipropionitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3'-Iminodipropionitrile (CAS 111-94-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 3,3'-Iminodipropionitrile (CAS 111-94-4) has the molecular formula C6H9N3 and a molecular weight of 123.08 g/mol. Reported properties include a density of 1.02 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992). It is also known as 3,3'-Iminodipropionitrile and Bis(2-cyanoethyl)amine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,3'-Iminodipropionitrile
Property Insights of 3,3'-Iminodipropionitrile
The XLogP value of -0.8 indicates that 3,3'-Iminodipropionitrile 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, 3,3'-Iminodipropionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Iminodipropionitrile 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
What is the CAS number of 3,3'-Iminodipropionitrile?
The CAS number of 3,3'-Iminodipropionitrile is 111-94-4.
What is the molecular formula of 3,3'-Iminodipropionitrile?
The molecular formula of 3,3'-Iminodipropionitrile is C6H9N3.
What is the molecular weight of 3,3'-Iminodipropionitrile?
The molecular weight of 3,3'-Iminodipropionitrile is 123.07965 g/mol.
What are the applications of 3,3'-Iminodipropionitrile?
3,3'-Iminodipropionitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3'-Iminodipropionitrile...
Where can I buy 3,3'-Iminodipropionitrile?
You can request a quote for 3,3'-Iminodipropionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3'-Iminodipropionitrile?
Yes, CoreyChem provides custom synthesis services for 3,3'-Iminodipropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.