3-Aminopropionitrile
TL;DR: 3-Aminopropionitrile (CAS 151-18-8) is a chemical compound with molecular formula C3H6N2 and molecular weight 70.0531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-aminopropanenitrile
Also Known As: 3-aminopropionitrile, 3-Aminopropanenitrile, 2-Cyanoethylamine, Aminopropionitrile, BAPN
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6N2 |
| Molecular Weight | 70.0531 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 70.0531 Da |
| Heavy Atoms | 5 |
| Complexity | 49.0 |
| Melting Point | < 25 °C |
| Boiling Point | 185 °C @ 760 mm Hg |
| Density | 0.9584 @ 20 °C |
| Vapor Pressure | 2 mm Hg @ 38-40 °C |
| Refractive Index | Index of refraction: 1.4396 @ 20 °C/D |
| SMILES | C(CN)C#N |
| InChIKey | AGSPXMVUFBBBMO-UHFFFAOYSA-N |
Product Description
Applications: 3-Aminopropionitrile 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Aminopropionitrile is a heterocyclic building block identified by CAS number 151-18-8 and the molecular formula C3H6N2 and a molecular weight of 70.05 g/mol. Physically, the compound has a density of 0.9584 @ 20 °C g/cm³. Synonyms include 3-aminopropionitrile and 3-Aminopropanenitrile.
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-Aminopropionitrile
Property Insights of 3-Aminopropionitrile
The XLogP value of -1.0 indicates that 3-Aminopropionitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Aminopropionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminopropionitrile has 1 hydrogen bond donor(s) and 2 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-Aminopropionitrile?
The CAS number of 3-Aminopropionitrile is 151-18-8.
What is the molecular formula of 3-Aminopropionitrile?
The molecular formula of 3-Aminopropionitrile is C3H6N2.
What is the molecular weight of 3-Aminopropionitrile?
The molecular weight of 3-Aminopropionitrile is 70.0531 g/mol.
What are the applications of 3-Aminopropionitrile?
3-Aminopropionitrile 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. Available from CoreyChem as both catalog item and...
Where can I buy 3-Aminopropionitrile?
You can request a quote for 3-Aminopropionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Aminopropionitrile?
Yes, CoreyChem provides custom synthesis services for 3-Aminopropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.