N-(Aminoiminomethyl)-N-methyl-beta-alanine
TL;DR: N-(Aminoiminomethyl)-N-methyl-beta-alanine (CAS 35404-55-8) is a chemical compound with molecular formula C5H11N3O2 and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[carbamimidoyl(methyl)amino]propanoic acid
Also Known As: N-(AMINOIMINOMETHYL)-N-METHYL-BETA-ALANINE, N-carbamimidoyl-N-methyl-beta-alanine, 3-(N-methyl guanidino)-propionic acid, 3-[carbamimidoyl(methyl)amino]propanoic acid, 3-(N-methylcarbamimidamido)propanoic acid
| Molecular Formula | C5H11N3O2 |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.08513 |
| Heavy Atoms | 10 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 35404-55-8 |
|---|---|
| SMILES | CN(CCC(=O)O)C(=N)N |
| InChIKey | LSJOKOWBJOVVQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Aminoiminomethyl)-N-methyl-beta-alanine (CAS 35404-55-8), with molecular formula C5H11N3O2 and molecular weight 145.09 g/mol. IUPAC: 3-[carbamimidoyl(methyl)amino]propanoic acid.
Chemical Property Profile of N-(Aminoiminomethyl)-N-methyl-beta-alanine
Property Insights of N-(Aminoiminomethyl)-N-methyl-beta-alanine
The XLogP value of -1.3 indicates that N-(Aminoiminomethyl)-N-methyl-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Aminoiminomethyl)-N-methyl-beta-alanine. Following Lipinski's Rule of Five, N-(Aminoiminomethyl)-N-methyl-beta-alanine has 3 hydrogen bond donor(s) and 3 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)-N-methyl-beta-alanine?
The CAS number of N-(Aminoiminomethyl)-N-methyl-beta-alanine is 35404-55-8.
What is the molecular formula of N-(Aminoiminomethyl)-N-methyl-beta-alanine?
The molecular formula of N-(Aminoiminomethyl)-N-methyl-beta-alanine is C5H11N3O2.
What is the molecular weight of N-(Aminoiminomethyl)-N-methyl-beta-alanine?
The molecular weight of N-(Aminoiminomethyl)-N-methyl-beta-alanine is 145.09 g/mol.
Where can I buy N-(Aminoiminomethyl)-N-methyl-beta-alanine?
You can request a quote for N-(Aminoiminomethyl)-N-methyl-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Aminoiminomethyl)-N-methyl-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(Aminoiminomethyl)-N-methyl-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.