3,3'-Iminodipropionitrile
TL;DR: 3,3'-Iminodipropionitrile (CAS 111-94-4) 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.
3-(2-cyanoethylamino)propanenitrile
Also Known As: 3,3'-Iminodipropionitrile, Bis(2-cyanoethyl)amine, Iminodipropanenitrile, IDPN, BBCE
| Molecular Formula | C6H9N3 |
|---|---|
| Molecular Weight | 123.08 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 123.07965 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| Melting Point | -6.1 °C |
| Boiling Point | 172.8 °C at 10 mmHg |
| Density | 1.02 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 110.0 °C |
| Vapor Pressure | 1 mmHg at 140.0 °C |
| Refractive Index | 1.4700 @ 20 °C |
Chemical Identifiers
| CAS Number | 111-94-4 |
|---|---|
| SMILES | C(CNCCC#N)C#N |
| InChIKey | SBAJRGRUGUQKAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Iminodipropionitrile (CAS 111-94-4), with molecular formula C6H9N3 and molecular weight 123.08 g/mol. IUPAC: 3-(2-cyanoethylamino)propanenitrile.
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
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 123.08 g/mol.
Where can I buy 3,3'-Iminodipropionitrile?
You can request a quote for 3,3'-Iminodipropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Iminodipropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Iminodipropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.