N'-benzyl-2-chloroethanimidamide
TL;DR: N'-benzyl-2-chloroethanimidamide (CAS 121721-44-6) is a chemical compound with molecular formula C9H11ClN2 and molecular weight 182.06108 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-benzyl-2-chloroethanimidamide
Also Known As: N-Benzyl-2-chloroacetamidine, N-benzyl-2-chloroethanimidamide, N'-benzyl-2-chloroethanimidamide, J3.555.333I
Technical Specifications
| Molecular Formula | C9H11ClN2 |
| Molecular Weight | 182.06108 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 38.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.06108 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | C1=CC=C(C=C1)CN=C(CCl)N |
| InChIKey | UPIOABQAORDNGI-UHFFFAOYSA-N |
Chemical Property Profile of N'-benzyl-2-chloroethanimidamide
Property Insights of N'-benzyl-2-chloroethanimidamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-benzyl-2-chloroethanimidamide. With a topological polar surface area (TPSA) of 38.4 Ų, N'-benzyl-2-chloroethanimidamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-benzyl-2-chloroethanimidamide has 1 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'-benzyl-2-chloroethanimidamide?
The CAS number of N'-benzyl-2-chloroethanimidamide is 121721-44-6.
What is the molecular formula of N'-benzyl-2-chloroethanimidamide?
The molecular formula of N'-benzyl-2-chloroethanimidamide is C9H11ClN2.
What is the molecular weight of N'-benzyl-2-chloroethanimidamide?
The molecular weight of N'-benzyl-2-chloroethanimidamide is 182.06108 g/mol.
Where can I buy N'-benzyl-2-chloroethanimidamide?
You can request a quote for N'-benzyl-2-chloroethanimidamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N'-benzyl-2-chloroethanimidamide?
Yes, CoreyChem provides custom synthesis services for N'-benzyl-2-chloroethanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.