二乙烯三胺四乙酸
TL;DR: 二乙烯三胺四乙酸 (CAS 160098-90-8) is a chemical compound with molecular formula C12H21N3O8 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙烯三胺四乙酸
2-[2-[2-[bis(carboxymethyl)amino]ethylamino]ethyl-(carboxymethyl)amino]acetic acid
Also Known As: DTTA, Diethylenetriaminetetraacetic acid, Gadobutrol Impurity 192, [Iminobis(ethylenenitrilo)]tetraacetic acid, (Iminobisethylenebisnitrilo)tetraacetic acid
| Molecular Formula | C12H21N3O8 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | -8.6 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 335.13287 |
| Heavy Atoms | 23 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 160098-90-8 |
|---|---|
| SMILES | C(CN(CC(=O)O)CC(=O)O)NCCN(CC(=O)O)CC(=O)O |
| InChIKey | AGMNQPKGRCRYQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二乙烯三胺四乙酸 (CAS 160098-90-8), with molecular formula C12H21N3O8 and molecular weight 335.13 g/mol. IUPAC: 2-[2-[2-[bis(carboxymethyl)amino]ethylamino]ethyl-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of 二乙烯三胺四乙酸
Property Insights of 二乙烯三胺四乙酸
The XLogP value of -8.6 indicates that 二乙烯三胺四乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting 二乙烯三胺四乙酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 二乙烯三胺四乙酸 has 5 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 二乙烯三胺四乙酸?
The CAS number of 二乙烯三胺四乙酸 is 160098-90-8.
What is the molecular formula of 二乙烯三胺四乙酸?
The molecular formula of 二乙烯三胺四乙酸 is C12H21N3O8.
What is the molecular weight of 二乙烯三胺四乙酸?
The molecular weight of 二乙烯三胺四乙酸 is 335.13 g/mol.
Where can I buy 二乙烯三胺四乙酸?
You can request a quote for 二乙烯三胺四乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙烯三胺四乙酸?
Yes, KEHONG BIO provides custom synthesis services for 二乙烯三胺四乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.