3-Aminopropyl-5-tetrazole
TL;DR: 3-Aminopropyl-5-tetrazole (CAS 6344-87-2) is a chemical compound with molecular formula C4H9N5 and molecular weight 127.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2H-tetrazol-5-yl)propan-1-amine
Also Known As: GABA tetrazole, 1H-Tetrazole-5-propanamine, 3-Aminopropyl-5-tetrazole, 2H-Tetrazole-5-propanamine, 3-(2H-tetrazol-5-yl)propan-1-amine
| Molecular Formula | C4H9N5 |
|---|---|
| Molecular Weight | 127.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.08579 |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 6344-87-2 |
|---|---|
| SMILES | C(CC1=NNN=N1)CN |
| InChIKey | GKWCKCHEKRDLOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Aminopropyl-5-tetrazole (CAS 6344-87-2), with molecular formula C4H9N5 and molecular weight 127.09 g/mol. IUPAC: 3-(2H-tetrazol-5-yl)propan-1-amine.
Chemical Property Profile of 3-Aminopropyl-5-tetrazole
Property Insights of 3-Aminopropyl-5-tetrazole
The XLogP value of -0.8 indicates that 3-Aminopropyl-5-tetrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminopropyl-5-tetrazole. Following Lipinski's Rule of Five, 3-Aminopropyl-5-tetrazole 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
Frequently Asked Questions
What is the CAS number of 3-Aminopropyl-5-tetrazole?
The CAS number of 3-Aminopropyl-5-tetrazole is 6344-87-2.
What is the molecular formula of 3-Aminopropyl-5-tetrazole?
The molecular formula of 3-Aminopropyl-5-tetrazole is C4H9N5.
What is the molecular weight of 3-Aminopropyl-5-tetrazole?
The molecular weight of 3-Aminopropyl-5-tetrazole is 127.09 g/mol.
Where can I buy 3-Aminopropyl-5-tetrazole?
You can request a quote for 3-Aminopropyl-5-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminopropyl-5-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminopropyl-5-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.