Basic information
- CAS
21121-06-2- Standard SMILES
Cl.NCCNCCNCCN- InChIKey
XPVOJYDIBHYVFL-UHFFFAOYSA-N- Molecular formula
- C6H19ClN4
- Average molar mass
- 182.69 g/mol
- Monoisotopic mass
- 182.12982429
Overview
See also: Trientine Hydrochloride (annotation moved to).
Names & identifiers
- Preferred name
- Trientine HCl
- IUPAC
- N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hydrochloride
Names & synonyms
Trientine HCl21121-06-2DTXSID80419994RefChem:203351DTXCID50370841N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hydrochloridetrientine-2hcltriethylenetetramine HClSMR000058543MLS000069683SCHEMBL205201CHEMBL1200783
Show more names
XPVOJYDIBHYVFL-UHFFFAOYSA-NPharmakon1600-01505675NSC158271NSC759164AKOS027276425LS-132421, N,N'-bis(2-aminoethyl)-, tetrahydrochlorideN~1~,N~1'~-(Ethane-1,2-diyl)di(ethane-1,2-diamine)--hydrogen chloride (1/1)
Database identifiers
- CAS
21121-06-2、38260-01-4、4961-40-4- PubChem CID
- 5458180
- DTXSID
DTXSID80419994- ChEMBL
CHEMBL1200783
Properties
Computed structural properties
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 49.7
Experimental & physicochemical properties
Solubility>32.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
2 records
Compound notes
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