((4-甲基苯基)氨基)乙腈
TL;DR: ((4-甲基苯基)氨基)乙腈 (CAS 16728-84-0) 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.
((4-甲基苯基)氨基)乙腈
2-(4-methylanilino)acetonitrile
Also Known As: ((4-Methylphenyl)amino)acetonitrile, 2-(4-methylanilino)acetonitrile, p-Tolylaminoazetonitril, 2-[(4-methylphenyl)amino]acetonitrile, [(4-methylphenyl)amino]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 | 148.0 |
Chemical Identifiers
| CAS Number | 16728-84-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC#N |
| InChIKey | YDENRXHJQSFQKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((4-甲基苯基)氨基)乙腈 (CAS 16728-84-0), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 2-(4-methylanilino)acetonitrile.
Chemical Property Profile of ((4-甲基苯基)氨基)乙腈
Property Insights of ((4-甲基苯基)氨基)乙腈
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-甲基苯基)氨基)乙腈. With a topological polar surface area (TPSA) of 35.8 Ų, ((4-甲基苯基)氨基)乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((4-甲基苯基)氨基)乙腈 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 ((4-甲基苯基)氨基)乙腈?
The CAS number of ((4-甲基苯基)氨基)乙腈 is 16728-84-0.
What is the molecular formula of ((4-甲基苯基)氨基)乙腈?
The molecular formula of ((4-甲基苯基)氨基)乙腈 is C9H10N2.
What is the molecular weight of ((4-甲基苯基)氨基)乙腈?
The molecular weight of ((4-甲基苯基)氨基)乙腈 is 146.08 g/mol.
Where can I buy ((4-甲基苯基)氨基)乙腈?
You can request a quote for ((4-甲基苯基)氨基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-甲基苯基)氨基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for ((4-甲基苯基)氨基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.