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C₆H₂₂Cl₄N₄CAS 4961-40-4292.07 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₆H₂₂Cl₄N₄
Molar mass: 292.07 g/mol
Exact mass: 290.0599 Da
logP: -0.23Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.1% of notifiers
H351 Suspected of causing cancer95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

4961-40-4

SMILES

Cl.Cl.Cl.Cl.NCCNCCNCCN

InChIKey

OKHMDSCYUWAQPT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

1,2-Ethanediamine, N1,N2-bis(2-aminoethyl)-, hydrochloride (1:4)
Triethylenetetramine, tetrahydrochloride
1,2-Ethanediamine, N,N′-bis(2-aminoethyl)-, tetrahydrochloride
Trientine tetrahydrochloride

Work with Cuprior

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 Triethylenetetramine dihydrochloride38260-01-4Salt

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

PubChem CAS Common Chemistry NIST WebBook