3-(O-Toluidino)propionitrile
TL;DR: 3-(O-Toluidino)propionitrile (CAS 117978-17-3) 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-(2-methylanilino)propanenitrile
Also Known As: 3-(2-methylanilino)propanenitrile, 3-(O-TOLUIDINO)PROPIONITRILE, 3-[(2-methylphenyl)amino]propanenitrile, 3-O-Tolylamino-Propionitrile, N-cyanoethyl-N-o-methylaniline
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
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 | 3 |
| Exact Mass | 160.10005 Da |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| SMILES | CC1=CC=CC=C1NCCC#N |
| InChIKey | HKGRRDVXZWWWRN-UHFFFAOYSA-N |
Chemical Property Profile of 3-(O-Toluidino)propionitrile
Property Insights of 3-(O-Toluidino)propionitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(O-Toluidino)propionitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 3-(O-Toluidino)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(O-Toluidino)propionitrile 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 3-(O-Toluidino)propionitrile?
The CAS number of 3-(O-Toluidino)propionitrile is 117978-17-3.
What is the molecular formula of 3-(O-Toluidino)propionitrile?
The molecular formula of 3-(O-Toluidino)propionitrile is C10H12N2.
What is the molecular weight of 3-(O-Toluidino)propionitrile?
The molecular weight of 3-(O-Toluidino)propionitrile is 160.10005 g/mol.
Where can I buy 3-(O-Toluidino)propionitrile?
You can request a quote for 3-(O-Toluidino)propionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(O-Toluidino)propionitrile?
Yes, CoreyChem provides custom synthesis services for 3-(O-Toluidino)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.