2-Amino-6-ethylbenzonitrile
TL;DR: 2-Amino-6-ethylbenzonitrile (CAS 123241-41-8) is a chemical compound with molecular formula C9H10N2 and molecular weight 146.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-6-ethylbenzonitrile
Also Known As: 2-Amino-6-ethylbenzonitrile, 2-ethyl-6-amino-benzonitrile, 2-amino-6-ethyl-benzonitrile, Benzonitrile, 2-amino-6-ethyl- (9CI), BENZONITRILE, 2-AMINO-6-ETHYL-
Technical Specifications
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.0844 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.0844 Da |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
| SMILES | CCC1=C(C(=CC=C1)N)C#N |
| InChIKey | YORYMELVDSCEHF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-6-ethylbenzonitrile
Property Insights of 2-Amino-6-ethylbenzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-ethylbenzonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Amino-6-ethylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-6-ethylbenzonitrile 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-6-ethylbenzonitrile?
The CAS number of 2-Amino-6-ethylbenzonitrile is 123241-41-8.
What is the molecular formula of 2-Amino-6-ethylbenzonitrile?
The molecular formula of 2-Amino-6-ethylbenzonitrile is C9H10N2.
What is the molecular weight of 2-Amino-6-ethylbenzonitrile?
The molecular weight of 2-Amino-6-ethylbenzonitrile is 146.0844 g/mol.
Where can I buy 2-Amino-6-ethylbenzonitrile?
You can request a quote for 2-Amino-6-ethylbenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-6-ethylbenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-6-ethylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.