TL;DR: Einecs 254-844-1 (CAS 154043-69-3) is a chemical compound with molecular formula C9H19NO5 and molecular weight 221.12633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enoic acid
Also Known As: Triethanolamine polyacrylate, C6-H15-N-O3.x-(C3H4-O2)x-, Acrylic acid homopolymer compd. with triethanolamine, Acrylic acid, compound with 2,2',2''-nitrilotriethanol (1:1), Acrylic acid - 2,2',2''-nitrilotriethanol (1:1)
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H19NO5 |
| Molecular Weight | 221.12633 g/mol |
| XLogP | -1.4777 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.12633 Da |
| Heavy Atoms | 15 |
| Complexity | 112.0 |
| SMILES | C=CC(=O)O.C(CO)N(CCO)CCO |
| InChIKey | SHDIPWPAGQDYTH-UHFFFAOYSA-N |
The XLogP value of -1.4777 indicates that Einecs 254-844-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 254-844-1. Following Lipinski's Rule of Five, Einecs 254-844-1 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Einecs 254-844-1 is 154043-69-3.
The molecular formula of Einecs 254-844-1 is C9H19NO5.
The molecular weight of Einecs 254-844-1 is 221.12633 g/mol.
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