4-tert-Butyl-benzamidine
TL;DR: 4-tert-Butyl-benzamidine (CAS 125772-42-1) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butylbenzenecarboximidamide
Also Known As: 4-tert-Butyl-benzamidine, 4-(tert-Butyl)benzimidamide, 4-tert-butylbenzamidine, 4-tert-butylbenzenecarboximidamide, 4-tert-butylbenzene-1-carboximidamide
Technical Specifications
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.13135 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.13135 Da |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=N)N |
| InChIKey | NFNSHLXROFMSCN-UHFFFAOYSA-N |
Chemical Property Profile of 4-tert-Butyl-benzamidine
Property Insights of 4-tert-Butyl-benzamidine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butyl-benzamidine. With a topological polar surface area (TPSA) of 49.9 Ų, 4-tert-Butyl-benzamidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-benzamidine has 2 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 4-tert-Butyl-benzamidine?
The CAS number of 4-tert-Butyl-benzamidine is 125772-42-1.
What is the molecular formula of 4-tert-Butyl-benzamidine?
The molecular formula of 4-tert-Butyl-benzamidine is C11H16N2.
What is the molecular weight of 4-tert-Butyl-benzamidine?
The molecular weight of 4-tert-Butyl-benzamidine is 176.13135 g/mol.
Where can I buy 4-tert-Butyl-benzamidine?
You can request a quote for 4-tert-Butyl-benzamidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butyl-benzamidine?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butyl-benzamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.