2-Propenenitrile, 3-chloro-2-methyl-
TL;DR: 2-Propenenitrile, 3-chloro-2-methyl- (CAS 10329-37-0) is a chemical compound with molecular formula C4H4ClN and molecular weight 101.00323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2-methylprop-2-enenitrile
Also Known As: 3-chloro-2-methylprop-2-enenitrile, 3-Chloro-2-methyl-2-propenenitrile, 2-Propenenitrile,3-chloro-2-methyl-, 2-Propenenitrile, 3-chloro-2-methyl-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4ClN |
| Molecular Weight | 101.00323 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.00323 Da |
| Heavy Atoms | 6 |
| Complexity | 106.0 |
| SMILES | CC(=CCl)C#N |
| InChIKey | SRNADAWHRWZEFE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenenitrile, 3-chloro-2-methyl-
Property Insights of 2-Propenenitrile, 3-chloro-2-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenenitrile, 3-chloro-2-methyl-. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Propenenitrile, 3-chloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenenitrile, 3-chloro-2-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Propenenitrile, 3-chloro-2-methyl-?
The CAS number of 2-Propenenitrile, 3-chloro-2-methyl- is 10329-37-0.
What is the molecular formula of 2-Propenenitrile, 3-chloro-2-methyl-?
The molecular formula of 2-Propenenitrile, 3-chloro-2-methyl- is C4H4ClN.
What is the molecular weight of 2-Propenenitrile, 3-chloro-2-methyl-?
The molecular weight of 2-Propenenitrile, 3-chloro-2-methyl- is 101.00323 g/mol.
Where can I buy 2-Propenenitrile, 3-chloro-2-methyl-?
You can request a quote for 2-Propenenitrile, 3-chloro-2-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenenitrile, 3-chloro-2-methyl-?
Yes, CoreyChem provides custom synthesis services for 2-Propenenitrile, 3-chloro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.