N-Methylcrotonanilide
TL;DR: N-Methylcrotonanilide (CAS 130594-85-3) is a chemical compound with molecular formula C11H13NO and molecular weight 175.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-methyl-N-phenylbut-2-enamide
Also Known As: N-Methylcrotonanilide, Crotamiton Impurity N5, Crotamiton Impurity 15, (2E)-N-methyl-N-phenylbut-2-enamide, N-Phenyl-N-methyl-2-buteneamide
Technical Specifications
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.09972 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 Da |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
| SMILES | C/C=C/C(=O)N(C)C1=CC=CC=C1 |
| InChIKey | NULYBZJUSXRPGA-XVNBXDOJSA-N |
Chemical Property Profile of N-Methylcrotonanilide
Property Insights of N-Methylcrotonanilide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylcrotonanilide. With a topological polar surface area (TPSA) of 20.3 Ų, N-Methylcrotonanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylcrotonanilide 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 N-Methylcrotonanilide?
The CAS number of N-Methylcrotonanilide is 130594-85-3.
What is the molecular formula of N-Methylcrotonanilide?
The molecular formula of N-Methylcrotonanilide is C11H13NO.
What is the molecular weight of N-Methylcrotonanilide?
The molecular weight of N-Methylcrotonanilide is 175.09972 g/mol.
Where can I buy N-Methylcrotonanilide?
You can request a quote for N-Methylcrotonanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Methylcrotonanilide?
Yes, CoreyChem provides custom synthesis services for N-Methylcrotonanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.