2-Amino-2-phenylacetonitrile
TL;DR: 2-Amino-2-phenylacetonitrile (CAS 16750-42-8) is a chemical compound with molecular formula C8H8N2 and molecular weight 132.06874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-2-phenylacetonitrile
Also Known As: 2-Amino-2-phenylacetonitrile, aminophenylacetonitrile, 2-phenylglycinonitrile, Aminocyanophenylmethyl, 2,3-Diaminopyridine
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8N2 |
| Molecular Weight | 132.06874 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.06874 Da |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
| SMILES | C1=CC=C(C=C1)C(C#N)N |
| InChIKey | JTIHSSVKTWPPHI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-2-phenylacetonitrile
Property Insights of 2-Amino-2-phenylacetonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-2-phenylacetonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Amino-2-phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-2-phenylacetonitrile 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 2-Amino-2-phenylacetonitrile?
The CAS number of 2-Amino-2-phenylacetonitrile is 16750-42-8.
What is the molecular formula of 2-Amino-2-phenylacetonitrile?
The molecular formula of 2-Amino-2-phenylacetonitrile is C8H8N2.
What is the molecular weight of 2-Amino-2-phenylacetonitrile?
The molecular weight of 2-Amino-2-phenylacetonitrile is 132.06874 g/mol.
Where can I buy 2-Amino-2-phenylacetonitrile?
You can request a quote for 2-Amino-2-phenylacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-2-phenylacetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.