1-(beta-Dimethylaminoethoxy)benzotriazole
TL;DR: 1-(beta-Dimethylaminoethoxy)benzotriazole (CAS 96886-70-3) is a chemical compound with molecular formula C16H22N4O8 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yloxy)-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: DAEBT, 1-(beta-Dimethylaminoethoxy)benzotriazole, Ethanamine, 2-(1H-benzotriazol-1-yloxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-(benzotriazol-1-yloxy)-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid, 2-(1h-benzotriazol-1-yloxy)-n,n-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate(1:1)
| Molecular Formula | C16H22N4O8 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | -0.827 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.14377 |
| Heavy Atoms | 28 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 96886-70-3 |
|---|---|
| SMILES | CN(C)CCON1C2=CC=CC=C2N=N1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | JYYQECOZBLCZGB-UHFFFAOYSA-N |
Product Overview
1-(beta-Dimethylaminoethoxy)benzotriazole (CAS 96886-70-3), with molecular formula C16H22N4O8 and molecular weight 398.14 g/mol. IUPAC: 2-(benzotriazol-1-yloxy)-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1-(beta-Dimethylaminoethoxy)benzotriazole
Property Insights of 1-(beta-Dimethylaminoethoxy)benzotriazole
The XLogP value of -0.827 indicates that 1-(beta-Dimethylaminoethoxy)benzotriazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 1-(beta-Dimethylaminoethoxy)benzotriazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(beta-Dimethylaminoethoxy)benzotriazole has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(beta-Dimethylaminoethoxy)benzotriazole?
The CAS number of 1-(beta-Dimethylaminoethoxy)benzotriazole is 96886-70-3.
What is the molecular formula of 1-(beta-Dimethylaminoethoxy)benzotriazole?
The molecular formula of 1-(beta-Dimethylaminoethoxy)benzotriazole is C16H22N4O8.
What is the molecular weight of 1-(beta-Dimethylaminoethoxy)benzotriazole?
The molecular weight of 1-(beta-Dimethylaminoethoxy)benzotriazole is 398.14 g/mol.
Where can I buy 1-(beta-Dimethylaminoethoxy)benzotriazole?
You can request a quote for 1-(beta-Dimethylaminoethoxy)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(beta-Dimethylaminoethoxy)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(beta-Dimethylaminoethoxy)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.