alpha-Ethyl-2H-tetrazole-5-methanamine
TL;DR: alpha-Ethyl-2H-tetrazole-5-methanamine (CAS 31603-03-9) 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.
1-(2H-tetrazol-5-yl)propan-1-amine
Also Known As: 1-(1H-1,2,3,4-tetrazol-5-yl)propan-1-amine, 1-(2H-tetrazol-5-yl)propan-1-amine, 5-.alpha.-Aminopropyltetrazole, 1-(1H-Tetrazol-5-yl)-1-propanamine, 1-(1H-Tetrazol-5-yl)propan-1-amine
| Molecular Formula | C4H9N5 |
|---|---|
| Molecular Weight | 127.09 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.08579 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 31603-03-9 |
|---|---|
| SMILES | CCC(C1=NNN=N1)N |
| InChIKey | DOFDXNNXHHZWCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Ethyl-2H-tetrazole-5-methanamine (CAS 31603-03-9), with molecular formula C4H9N5 and molecular weight 127.09 g/mol. IUPAC: 1-(2H-tetrazol-5-yl)propan-1-amine.
Chemical Property Profile of alpha-Ethyl-2H-tetrazole-5-methanamine
Property Insights of alpha-Ethyl-2H-tetrazole-5-methanamine
The XLogP value of -0.7 indicates that alpha-Ethyl-2H-tetrazole-5-methanamine 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 alpha-Ethyl-2H-tetrazole-5-methanamine. Following Lipinski's Rule of Five, alpha-Ethyl-2H-tetrazole-5-methanamine 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 alpha-Ethyl-2H-tetrazole-5-methanamine?
The CAS number of alpha-Ethyl-2H-tetrazole-5-methanamine is 31603-03-9.
What is the molecular formula of alpha-Ethyl-2H-tetrazole-5-methanamine?
The molecular formula of alpha-Ethyl-2H-tetrazole-5-methanamine is C4H9N5.
What is the molecular weight of alpha-Ethyl-2H-tetrazole-5-methanamine?
The molecular weight of alpha-Ethyl-2H-tetrazole-5-methanamine is 127.09 g/mol.
Where can I buy alpha-Ethyl-2H-tetrazole-5-methanamine?
You can request a quote for alpha-Ethyl-2H-tetrazole-5-methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ethyl-2H-tetrazole-5-methanamine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ethyl-2H-tetrazole-5-methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.