EINECS 271-702-4
TL;DR: EINECS 271-702-4 (CAS 68604-70-6) is a chemical compound with molecular formula C19H41N4O9+ and molecular weight 469.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[2-(2-carboxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid;bis(2-(2-hydroxyethylamino)ethanol)
Also Known As: Coconut fatty acid, aminoethylethanolamine amide-imidazoline, diacrylic acid alkylated, di(diethanolamine) salt, Imidazolium compounds, 1-(2-(2-carboxyethoxy)ethyl)-1(or 3)-(2-carboxyethyl)-4,5-dihydro-2-norcoco alkyl, hydroxides, compds. with diethanolamine (1:2), 3-[1-[2-(2-carboxyethyloxy)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid; 2-(2-hydroxyethylamino)ethanol, Imidazolium compounds, 1-[2-(2-carboxyethoxy)ethyl]-1(or 3)-(2-carboxyethyl)-4,5-dihydro-2-norcoco alkyl, hydroxides, compds. with diethanolamine (1:2)
| Molecular Formula | C19H41N4O9+ |
|---|---|
| Molecular Weight | 469.29 g/mol |
| LogP | -3.0677 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 469.28735 |
| Heavy Atoms | 32 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 68604-70-6 |
|---|---|
| SMILES | C1C[N+](C=N1)(CCC(=O)O)CCOCCC(=O)O.C(CO)NCCO.C(CO)NCCO |
| InChIKey | NEOHOMLMUYKQAS-UHFFFAOYSA-O |
Product Overview
EINECS 271-702-4 (CAS 68604-70-6), with molecular formula C19H41N4O9+ and molecular weight 469.29 g/mol. IUPAC: 3-[1-[2-(2-carboxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid;bis(2-(2-hydroxyethylamino)ethanol).
Chemical Property Profile of EINECS 271-702-4
Property Insights of EINECS 271-702-4
The XLogP value of -3.0677 indicates that EINECS 271-702-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 201.0 Ų indicates high polarity, suggesting EINECS 271-702-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 271-702-4 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 271-702-4?
The CAS number of EINECS 271-702-4 is 68604-70-6.
What is the molecular formula of EINECS 271-702-4?
The molecular formula of EINECS 271-702-4 is C19H41N4O9+.
What is the molecular weight of EINECS 271-702-4?
The molecular weight of EINECS 271-702-4 is 469.29 g/mol.
Where can I buy EINECS 271-702-4?
You can request a quote for EINECS 271-702-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 271-702-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 271-702-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.