3-((Ethylamino)methyl)benzonitrile
TL;DR: 3-((Ethylamino)methyl)benzonitrile (CAS 90389-97-2) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(ethylaminomethyl)benzonitrile
Also Known As: 3-((ethylamino)methyl)benzonitrile, Benzylamine der, 3-(ethylaminomethyl)benzonitrile, 3-[(ethylamino)methyl]benzonitrile, 3-Ethylaminomethyl-benzonitrile
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 90389-97-2 |
|---|---|
| SMILES | CCNCC1=CC(=CC=C1)C#N |
| InChIKey | HBNIUVPIZQUBQO-UHFFFAOYSA-N |
Product Overview
3-((Ethylamino)methyl)benzonitrile (CAS 90389-97-2), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 3-(ethylaminomethyl)benzonitrile.
Chemical Property Profile of 3-((Ethylamino)methyl)benzonitrile
Property Insights of 3-((Ethylamino)methyl)benzonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Ethylamino)methyl)benzonitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 3-((Ethylamino)methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((Ethylamino)methyl)benzonitrile 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 3-((Ethylamino)methyl)benzonitrile?
The CAS number of 3-((Ethylamino)methyl)benzonitrile is 90389-97-2.
What is the molecular formula of 3-((Ethylamino)methyl)benzonitrile?
The molecular formula of 3-((Ethylamino)methyl)benzonitrile is C10H12N2.
What is the molecular weight of 3-((Ethylamino)methyl)benzonitrile?
The molecular weight of 3-((Ethylamino)methyl)benzonitrile is 160.10 g/mol.
Where can I buy 3-((Ethylamino)methyl)benzonitrile?
You can request a quote for 3-((Ethylamino)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Ethylamino)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((Ethylamino)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.