Basic information
- CAS
56329-47-6- Standard SMILES
CC(=O)O.CC(=O)O.NCCNCCN- InChIKey
NOUQZZMWVJZXOJ-UHFFFAOYSA-N- Molecular formula
- C8H21N3O4
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.15320615
Names & identifiers
- Preferred name
- Diethylenetriamine diacetate
- IUPAC
- acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine
- English name
- N-(2-aminoethyl)ethylenediamine diacetate
- Molecular formula
- C8H21N3O4
- Molecular weight
- 223.27004
Names & synonyms
Diethylenetriamine diacetateRefChem:7207056329-47-6N-(2-Aminoethyl)ethylenediamine diacetate1,2-Ethanediamine, N-(2-aminoethyl)-, diacetateEINECS 260-114-3DTXSID00690941,2-Ethanediamine, N1-(2-aminoethyl)-, acetate (1:2)NOUQZZMWVJZXOJ-UHFFFAOYSA-NNS00087075Acetic acid--N~1~-(2-aminoethyl)ethane-1,2-diamine (2/1)
Database identifiers
- CAS
56329-47-6- PubChem CID
- 171509
- DTXSID
DTXSID0069094- EC Number
- 260-114-3
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 57.1
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N-(2-aminoethyl)-, diacetate (56329-47-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
A diverse group of agents, with unique chemical structures and biochemical requirements, which generate NITRIC OXIDE. These compounds have been used in the treatment of cardiovascular diseases and the management of acute myocardial infarction, acute and chronic congestive heart failure, and surgical control of blood pressure. (Adv Pharmacol 1995;34:361-81)
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1-(2-aminoethyl)-, acetate (1:2): ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…