N-(Aminoiminomethyl)butyramide
TL;DR: N-(Aminoiminomethyl)butyramide (CAS 4417-83-8) is a chemical compound with molecular formula C5H11N3O and molecular weight 129.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diaminomethylidene)butanamide
Also Known As: n-carbamimidoylbutanamide, N-carbamimidoylbutyramide, Butyrylguanidin, Butyryl-guanidin, butyryl-guanidine
| Molecular Formula | C5H11N3O |
|---|---|
| Molecular Weight | 129.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.09021 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 4417-83-8 |
|---|---|
| SMILES | CCCC(=O)N=C(N)N |
| InChIKey | OZRCULZKJLSCQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Aminoiminomethyl)butyramide (CAS 4417-83-8), with molecular formula C5H11N3O and molecular weight 129.09 g/mol. IUPAC: N-(diaminomethylidene)butanamide.
Chemical Property Profile of N-(Aminoiminomethyl)butyramide
Property Insights of N-(Aminoiminomethyl)butyramide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Aminoiminomethyl)butyramide. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Aminoiminomethyl)butyramide. Following Lipinski's Rule of Five, N-(Aminoiminomethyl)butyramide 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
Frequently Asked Questions
What is the CAS number of N-(Aminoiminomethyl)butyramide?
The CAS number of N-(Aminoiminomethyl)butyramide is 4417-83-8.
What is the molecular formula of N-(Aminoiminomethyl)butyramide?
The molecular formula of N-(Aminoiminomethyl)butyramide is C5H11N3O.
What is the molecular weight of N-(Aminoiminomethyl)butyramide?
The molecular weight of N-(Aminoiminomethyl)butyramide is 129.09 g/mol.
Where can I buy N-(Aminoiminomethyl)butyramide?
You can request a quote for N-(Aminoiminomethyl)butyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Aminoiminomethyl)butyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(Aminoiminomethyl)butyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.