Basic information
- CAS
4961-40-4- Standard SMILES
Cl.Cl.Cl.Cl.NCCNCCNCCN- InChIKey
OKHMDSCYUWAQPT-UHFFFAOYSA-N- Molecular formula
- C6H22Cl4N4
- Average molar mass
- 292.1 g/mol
- Monoisotopic mass
- 290.059857
Names & identifiers
- Preferred name
- Trientine Tetrahydrochloride
- IUPAC
- N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
- English name
- Triethylenetetramine tetrahydrochloride
- Molecular formula
- C6H22Cl4N4
- Molecular weight
- 292.08
Names & synonyms
Trientine tetrahydrochlorideTriethylenetetramine, tetrahydrochlorideEINECS 225-604-3NSC 158271UNII-7360URE56QCUVRIOR1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-, tetrahydrochloride7360URE56QNSC-158271N,N'-Bis(2-aminoethyl)-1,2-ethanediamine tetrahydrochlorideDTXSID50636571,4,7,10-TETRAAZADECANE TETRAHYDROCHLORIDE
Show more names
Trientine 4HCltetrahydrochloridebis(ethane-1,2-diamine)Triethylenetetramine4HClN1,N1'-(Ethane-1,2-diyl)trientinetetrahydrochlorideTRIETHYLENETETRAMINE TETRAHCLTriethylenetetramine·4hydrochloride
CupriorRefChem:57638DTXCID5040708225-604-34961-40-4Triethylenetetramine tetrahydrochlorideN1,N1-(Ethane-1,2-diyl)bis(ethane-1,2-diamine) tetrahydrochlorideTETA 4HCl
Database identifiers
- CAS
4961-40-4- PubChem CID
- 71434
- DTXSID
DTXSID5063657- ChEMBL
CHEMBL5095420- UNII
- 7360URE56Q
- EC Number
- 225-604-3
Properties
Computed structural properties
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 49.7
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 269 · 269-270 °C(lit.)
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- InChI=1S/C6H18N4.4ClH/c7-1-3-9-5-6-10-4-2-8;;;;/h9-10H,1-8H2;4*1H
- InChIKey
- OKHMDSCYUWAQPT-UHFFFAOYSA-N
- SMILES
- C(NCCN)CNCCN.Cl.Cl.Cl.Cl
- CAS DataBase Reference
- 4961 · 4961-40-4(CAS DataBase Reference)
- FDA UNII
- 7360 URE56Q · 7360URE56Q
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-, tetrahydrochloride (4961-40-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KH8587087
- hs_code
- 2921.29.0055
- Toxicity
- rat,LD50,intraperitoneal,657mg/kg (657mg/kg),Research Communications in Chemical Pathology and Pharmacology. Vol. 14, Pg. 153, 1976.
- risk_code
- 36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H351
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
TRIENTINE TETRAHYDROCHLORIDE
Copper Chelator [EPC]; Copper Chelating Activity [MoA]; Metal Chelating Activity [MoA]
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1,N2-bis(2-aminoethyl)-, hydrochloride (1:4): ACTIVE
Applications
UsesTriethylenetetramine tetrahydrochloride was used as primary amine displacer in affinity chromatography.
General DescriptionTriethylenetetramine tetrahydrochloride is a copper-chelating agent
Upstream & downstream products
Upstream raw materials
Suppliers58 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
8 records
Compound notes
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