4-Boc-aminomethylbenzamidine
TL;DR: 4-Boc-aminomethylbenzamidine (CAS 162696-15-3) is a chemical compound with molecular formula C13H19N3O2 and molecular weight 249.14772 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate
Also Known As: 4-Boc-aminomethylbenzamidine, tert-butyl 4-carbamimidoylbenzylcarbamate, 4-boc-aminomethyl benzamidine, (4-carbamimidoyl-benzyl)-carbamic acid tert-butyl ester, Tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate
Technical Specifications
| Molecular Formula | C13H19N3O2 |
| Molecular Weight | 249.14772 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.14772 Da |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
| SMILES | CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=N)N |
| InChIKey | ARUMMNTYOXBYCC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Boc-aminomethylbenzamidine
Property Insights of 4-Boc-aminomethylbenzamidine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Boc-aminomethylbenzamidine. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Boc-aminomethylbenzamidine. Following Lipinski's Rule of Five, 4-Boc-aminomethylbenzamidine has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Boc-aminomethylbenzamidine?
The CAS number of 4-Boc-aminomethylbenzamidine is 162696-15-3.
What is the molecular formula of 4-Boc-aminomethylbenzamidine?
The molecular formula of 4-Boc-aminomethylbenzamidine is C13H19N3O2.
What is the molecular weight of 4-Boc-aminomethylbenzamidine?
The molecular weight of 4-Boc-aminomethylbenzamidine is 249.14772 g/mol.
Where can I buy 4-Boc-aminomethylbenzamidine?
You can request a quote for 4-Boc-aminomethylbenzamidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Boc-aminomethylbenzamidine?
Yes, CoreyChem provides custom synthesis services for 4-Boc-aminomethylbenzamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.