Triethylenetetramine dihydrochloride

C₆H₂₀Cl₂N₄CAS 38260-01-4219.15 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₆H₂₀Cl₂N₄
Molar mass: 219.15 g/mol
Exact mass: 218.1065 Da
Melting point: 115–118 °C
logP: -1.07Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

38260-01-4

SMILES

Cl.Cl.NCCNCCNCCN

InChIKey

WYHIICXRPHEJKI-UHFFFAOYSA-N

InChI

InChI=1S/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

1,2-Ethanediamine, N1,N2-bis(2-aminoethyl)-, hydrochloride (1:2)
1,2-Ethanediamine, N,N′-bis(2-aminoethyl)-, dihydrochloride
Trientine hydrochloride
Trien dihydrochloride
TTH
Cuprid
Syprine
Trientine dihydrochloride
N,N′-Bis-(2-aminoethyl)-1,2-ethanediamine dihydrochloride
Cufence

Work with Triethylenetetramine dihydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triethylenetetramine112-24-3Free base Cuprior4961-40-4Salt

Similar compounds

Tetraethylenepentamine112-57-280 % similar Pentaethylenehexamine4067-16-780 % similar Diethylenetriamine111-40-073 % similar Ethylenediamine-ethylenimine copolymer25987-06-863 % similar N,N'-Bis(2-aminoethyl)-1,3-propanediamine4741-99-561 % similar Cyclen tetrahydrochloride10045-25-760 % similar Piperazine hydrochloride142-64-360 % similar Spermine tetrahydrochloride306-67-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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