Butyronitrile, 3-amino-
TL;DR: Butyronitrile, 3-amino- (CAS 16750-40-6) is a chemical compound with molecular formula C4H8N2 and molecular weight 84.06875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-aminobutanenitrile
Also Known As: 3-aminobutanenitrile, 3-aminobutyronitrile, 3-Amino-butyronitrile, (S)-3-Aminobutanenitrile, Butyronitrile, 3-amino-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8N2 |
| Molecular Weight | 84.06875 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.06875 Da |
| Heavy Atoms | 6 |
| Complexity | 68.0 |
| SMILES | CC(CC#N)N |
| InChIKey | PPBSMPOYVPZOFM-UHFFFAOYSA-N |
Chemical Property Profile of Butyronitrile, 3-amino-
Property Insights of Butyronitrile, 3-amino-
The XLogP value of -0.6 indicates that Butyronitrile, 3-amino- 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, Butyronitrile, 3-amino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 3-amino- 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 Butyronitrile, 3-amino-?
The CAS number of Butyronitrile, 3-amino- is 16750-40-6.
What is the molecular formula of Butyronitrile, 3-amino-?
The molecular formula of Butyronitrile, 3-amino- is C4H8N2.
What is the molecular weight of Butyronitrile, 3-amino-?
The molecular weight of Butyronitrile, 3-amino- is 84.06875 g/mol.
Where can I buy Butyronitrile, 3-amino-?
You can request a quote for Butyronitrile, 3-amino- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyronitrile, 3-amino-?
Yes, CoreyChem provides custom synthesis services for Butyronitrile, 3-amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.