(2-甲基苯氨基)乙腈
TL;DR: (2-甲基苯氨基)乙腈 (CAS 16728-83-9) 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-甲基苯氨基)乙腈
2-(2-methylanilino)acetonitrile
Also Known As: o-Tolylaminoacetonitrile, (2-Methylanilino)acetonitrile, Acetonitrile, o-tolylamino-, Glycinonitrile, N-o-tolyl-, 2-(2-methylanilino)acetonitrile
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 1.9 |
| 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 | 16728-83-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NCC#N |
| InChIKey | LGQSLWOZIBVRQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-甲基苯氨基)乙腈 (CAS 16728-83-9), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 2-(2-methylanilino)acetonitrile.
Chemical Property Profile of (2-甲基苯氨基)乙腈
Property Insights of (2-甲基苯氨基)乙腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-甲基苯氨基)乙腈. With a topological polar surface area (TPSA) of 35.8 Ų, (2-甲基苯氨基)乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-甲基苯氨基)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 (2-甲基苯氨基)乙腈?
The CAS number of (2-甲基苯氨基)乙腈 is 16728-83-9.
What is the molecular formula of (2-甲基苯氨基)乙腈?
The molecular formula of (2-甲基苯氨基)乙腈 is C9H10N2.
What is the molecular weight of (2-甲基苯氨基)乙腈?
The molecular weight of (2-甲基苯氨基)乙腈 is 146.08 g/mol.
Where can I buy (2-甲基苯氨基)乙腈?
You can request a quote for (2-甲基苯氨基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-甲基苯氨基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for (2-甲基苯氨基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.