乙腈间甲苯胺基
TL;DR: 乙腈间甲苯胺基 (CAS 28354-22-5) 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.
乙腈间甲苯胺基
2-(3-methylanilino)acetonitrile
Also Known As: m-Tolylaminoacetonitrile, m-Toluidinoacetonitrile, Acetonitrile, m-tolylamino-, ACETONITRILE, m-TOLUIDINO-, 2-(3-methylanilino)acetonitrile
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.0844 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 28354-22-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCC#N |
| InChIKey | MOQXGUQHBPOHDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙腈间甲苯胺基 (CAS 28354-22-5), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 2-(3-methylanilino)acetonitrile.
Chemical Property Profile of 乙腈间甲苯胺基
Property Insights of 乙腈间甲苯胺基
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙腈间甲苯胺基. With a topological polar surface area (TPSA) of 35.8 Ų, 乙腈间甲苯胺基 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙腈间甲苯胺基 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 乙腈间甲苯胺基?
The CAS number of 乙腈间甲苯胺基 is 28354-22-5.
What is the molecular formula of 乙腈间甲苯胺基?
The molecular formula of 乙腈间甲苯胺基 is C9H10N2.
What is the molecular weight of 乙腈间甲苯胺基?
The molecular weight of 乙腈间甲苯胺基 is 146.08 g/mol.
Where can I buy 乙腈间甲苯胺基?
You can request a quote for 乙腈间甲苯胺基 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙腈间甲苯胺基?
Yes, KEHONG BIO provides custom synthesis services for 乙腈间甲苯胺基 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.