3-Amino-2-methylbenzonitrile
TL;DR: 3-Amino-2-methylbenzonitrile (CAS 8055-70-7) is a chemical compound with molecular formula C8H8N2 and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-methylbenzonitrile
Also Known As: 3-amino-2-methylbenzonitrile, Benzonitrile,3-amino-2-methyl-, NCIOpen2_000866, 2-methyl-3-amino-benzonitrile, 3-AMINO-2-METHYL-BENZONITRILE
| Molecular Formula | C8H8N2 |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.06874 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 8055-70-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1N)C#N |
| InChIKey | BSMSSOYMWIEQKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-2-methylbenzonitrile (CAS 8055-70-7), with molecular formula C8H8N2 and molecular weight 132.07 g/mol. IUPAC: 3-amino-2-methylbenzonitrile.
Chemical Property Profile of 3-Amino-2-methylbenzonitrile
Property Insights of 3-Amino-2-methylbenzonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-methylbenzonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Amino-2-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-2-methylbenzonitrile 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-Amino-2-methylbenzonitrile?
The CAS number of 3-Amino-2-methylbenzonitrile is 8055-70-7.
What is the molecular formula of 3-Amino-2-methylbenzonitrile?
The molecular formula of 3-Amino-2-methylbenzonitrile is C8H8N2.
What is the molecular weight of 3-Amino-2-methylbenzonitrile?
The molecular weight of 3-Amino-2-methylbenzonitrile is 132.07 g/mol.
Where can I buy 3-Amino-2-methylbenzonitrile?
You can request a quote for 3-Amino-2-methylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.