2-Amino-5-ethylbenzonitrile
TL;DR: 2-Amino-5-ethylbenzonitrile (CAS 79689-41-1) is a chemical compound with molecular formula C9H10N2 and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-ethylbenzonitrile
Also Known As: 2-Amino-5-ethylbenzonitrile, 2-amino-5-ethyl-benzonitrile, Benzonitrile, 2-amino-5-ethyl-, HYDROGENTETRABROMOAURATE(III)HYDRATE(99.9%-AU)
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 1.70288 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.0844 |
| Heavy Atoms | 11 |
| Complexity | 296.9213 |
Chemical Identifiers
| CAS Number | 79689-41-1 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)N)C#N |
Product Overview
2-Amino-5-ethylbenzonitrile (CAS 79689-41-1), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 2-amino-5-ethylbenzonitrile.
Chemical Property Profile of 2-Amino-5-ethylbenzonitrile
Property Insights of 2-Amino-5-ethylbenzonitrile
The XLogP value of 1.70288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-ethylbenzonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 2-Amino-5-ethylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-5-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
Frequently Asked Questions
What is the CAS number of 2-Amino-5-ethylbenzonitrile?
The CAS number of 2-Amino-5-ethylbenzonitrile is 79689-41-1.
What is the molecular formula of 2-Amino-5-ethylbenzonitrile?
The molecular formula of 2-Amino-5-ethylbenzonitrile is C9H10N2.
What is the molecular weight of 2-Amino-5-ethylbenzonitrile?
The molecular weight of 2-Amino-5-ethylbenzonitrile is 146.08 g/mol.
Where can I buy 2-Amino-5-ethylbenzonitrile?
You can request a quote for 2-Amino-5-ethylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-ethylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-ethylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.