Benzonitrile, 3,5-dimethyl-4-(methylamino)-
TL;DR: Benzonitrile, 3,5-dimethyl-4-(methylamino)- (CAS 151453-58-6) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-4-(methylamino)benzonitrile
Also Known As: m-Chlorbenzylidenchlorid, 3,5-dimethyl-4-(methylamino)benzonitrile, Benzonitrile, 3,5-dimethyl-4-(methylamino)-, 4-(Methylamino)-3,5-dimethylbenzonitrile, J1.106.059E
Technical Specifications
| Molecular Formula | C10H12N2 |
| Molecular Weight | 160.10005 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.10005 Da |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
| SMILES | CC1=CC(=CC(=C1NC)C)C#N |
| InChIKey | ZCTOBVIKBPSRST-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 3,5-dimethyl-4-(methylamino)-
Property Insights of Benzonitrile, 3,5-dimethyl-4-(methylamino)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3,5-dimethyl-4-(methylamino)-. With a topological polar surface area (TPSA) of 35.8 Ų, Benzonitrile, 3,5-dimethyl-4-(methylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 3,5-dimethyl-4-(methylamino)- 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
What is the CAS number of Benzonitrile, 3,5-dimethyl-4-(methylamino)-?
The CAS number of Benzonitrile, 3,5-dimethyl-4-(methylamino)- is 151453-58-6.
What is the molecular formula of Benzonitrile, 3,5-dimethyl-4-(methylamino)-?
The molecular formula of Benzonitrile, 3,5-dimethyl-4-(methylamino)- is C10H12N2.
What is the molecular weight of Benzonitrile, 3,5-dimethyl-4-(methylamino)-?
The molecular weight of Benzonitrile, 3,5-dimethyl-4-(methylamino)- is 160.10005 g/mol.
Where can I buy Benzonitrile, 3,5-dimethyl-4-(methylamino)-?
You can request a quote for Benzonitrile, 3,5-dimethyl-4-(methylamino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 3,5-dimethyl-4-(methylamino)-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 3,5-dimethyl-4-(methylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.