4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline
TL;DR: 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline (CAS 131117-50-5) is a chemical compound with molecular formula C8H9N5 and molecular weight 175.0858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2H-tetrazol-5-ylmethyl)aniline
Also Known As: 4-(1H-tetrazol-5-ylmethyl)aniline, 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline, 4-(2H-tetrazol-5-ylmethyl)aniline, 4-[(5-Tetrazolyl)methyl]aniline, 5-(p-aminobenzyl)-tetrazole
Technical Specifications
| Molecular Formula | C8H9N5 |
| Molecular Weight | 175.0858 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.0858 Da |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
| SMILES | C1=CC(=CC=C1CC2=NNN=N2)N |
| InChIKey | RBOMWIFRDXGSMQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline
Property Insights of 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline. Following Lipinski's Rule of Five, 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline has 2 hydrogen bond donor(s) and 4 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-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline?
The CAS number of 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline is 131117-50-5.
What is the molecular formula of 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline?
The molecular formula of 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline is C8H9N5.
What is the molecular weight of 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline?
The molecular weight of 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline is 175.0858 g/mol.
Where can I buy 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline?
You can request a quote for 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(1H-1,2,3,4-tetrazol-5-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.