4-Guanidinobutanal
TL;DR: 4-Guanidinobutanal (CAS 14049-14-0) is a chemical compound with molecular formula C5H11N3O and molecular weight 129.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-oxobutyl)guanidine
Also Known As: 4-guanidinobutanal, N-(4-oxobutyl)guanidine, 1-(4-oxobutyl)guanidine, 2-(4-oxobutyl)guanidine, 4-guanidinobutyraldehyde
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11N3O |
| Molecular Weight | 129.09021 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 81.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.09021 Da |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
| SMILES | C(CC=O)CN=C(N)N |
| InChIKey | VCOFTLCIPLEZKE-UHFFFAOYSA-N |
Product Description
Applications: 4-Guanidinobutanal is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 4-Guanidinobutanal (CAS 14049-14-0) has the molecular formula C5H11N3O and a molecular weight of 129.09 g/mol. Synonyms include 4-guanidinobutanal and N-(4-oxobutyl)guanidine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Guanidinobutanal
Property Insights of 4-Guanidinobutanal
The XLogP value of -1.5 indicates that 4-Guanidinobutanal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Guanidinobutanal. Following Lipinski's Rule of Five, 4-Guanidinobutanal has 2 hydrogen bond donor(s) and 2 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-Guanidinobutanal?
The CAS number of 4-Guanidinobutanal is 14049-14-0.
What is the molecular formula of 4-Guanidinobutanal?
The molecular formula of 4-Guanidinobutanal is C5H11N3O.
What is the molecular weight of 4-Guanidinobutanal?
The molecular weight of 4-Guanidinobutanal is 129.09021 g/mol.
What are the applications of 4-Guanidinobutanal?
4-Guanidinobutanal is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Guanidinobutanal?
You can request a quote for 4-Guanidinobutanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Guanidinobutanal?
Yes, CoreyChem provides custom synthesis services for 4-Guanidinobutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.