N,N-Diethyldiethylenetriamine

C₈H₂₁N₃CAS 24426-16-2159.28 g/mol

Open in Covalent MOL file

Primary amine Secondary amine Tertiary amine

Properties

Molecular formula: C₈H₂₁N₃
Molar mass: 159.28 g/mol
Exact mass: 159.1735 Da
Density: 0.8761 g/mL (at 20 °C)
Boiling point: 112–114 °C (at 24 Torr)
logP: -0.12Crippen estimate
Polar surface area: 41.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7

Identifiers

CAS number

24426-16-2

SMILES

CCN(CC)CCNCCN

InChIKey

CEFDTSBDWYXVHY-UHFFFAOYSA-N

InChI

InChI=1S/C8H21N3/c1-3-11(4-2)8-7-10-6-5-9/h10H,3-9H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

1,2-Ethanediamine, N2-(2-aminoethyl)-N1,N1-diethyl-
Diethylenetriamine, 1,1-diethyl-
1,2-Ethanediamine, N′-(2-aminoethyl)-N,N-diethyl-
N2-(2-Aminoethyl)-N1,N1-diethyl-1,2-ethanediamine
NSC 166316
N′-(2-Diethylaminoethyl)ethane-1,2-diamine
N-(2-Diethylaminoethyl)ethane-1,2-diamine
N-(2-Diethylaminoethyl)ethylenediamine
(2-Aminoethyl)[2-(diethylamino)ethyl]amine
[2-[(2-Aminoethyl)amino]ethyl]diethylamine

Work with N,N-Diethyldiethylenetriamine

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

Similar compounds

1-Ethylpiperazine5308-25-865 % similar N,N-Diethylethylenediamine100-36-758 % similar Aminoethylpiperazine140-31-856 % similar N,N-Diethyl-1,3-propanediamine104-78-954 % similar N,N-Diethyl-1,4-butanediamine27431-62-552 % similar Diethylenetriamine111-40-050 % similar N,N-Diethyl-N′-methylethylenediamine104-79-048 % similar Triethylenetetramine112-24-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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