N,N-Diethyl-beta-alanine
TL;DR: N,N-Diethyl-beta-alanine (CAS 1115-52-2) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)propanoic acid
Also Known As: 3-(diethylamino)propanoic acid, N,N-Diethyl-beta-alanine, 3- propanoicacid, n,n-diethyl-, A-alanine
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 1115-52-2 |
|---|---|
| SMILES | CCN(CC)CCC(=O)O |
| InChIKey | DIOYEFVIHLBWJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-beta-alanine (CAS 1115-52-2), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: 3-(diethylamino)propanoic acid.
Chemical Property Profile of N,N-Diethyl-beta-alanine
Property Insights of N,N-Diethyl-beta-alanine
The XLogP value of -1.8 indicates that N,N-Diethyl-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, N,N-Diethyl-beta-alanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-beta-alanine has 1 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,N-Diethyl-beta-alanine?
The CAS number of N,N-Diethyl-beta-alanine is 1115-52-2.
What is the molecular formula of N,N-Diethyl-beta-alanine?
The molecular formula of N,N-Diethyl-beta-alanine is C7H15NO2.
What is the molecular weight of N,N-Diethyl-beta-alanine?
The molecular weight of N,N-Diethyl-beta-alanine is 145.11 g/mol.
Where can I buy N,N-Diethyl-beta-alanine?
You can request a quote for N,N-Diethyl-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,N-Diethyl-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.