Diethylenetriamine

C4H13N3CAS 111-40-0103.17 g/mol

Open in Covalent MOL file
H2NNHNH2
Primary amineSecondary amine

Properties

Molecular formula
C4H13N3
Molar mass
103.17 g/mol
Exact mass
103.1109 Da
Density
0.9586 g/mL (at 20 °C)
Melting point
−39 °C
Boiling point
207 °C
pKa
10.45 (20 °C)
Flash point
97 °C (closed cup)
Water solubility
miscible
logP
-1.51Crippen estimate
Polar surface area
64.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 612-058-00-X), via PubChem.

Precautionary statements

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number
111-40-0
SMILES
NCCNCCN
InChIKey
RPNUMPOLZDHAAY-UHFFFAOYSA-N
InChI
InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2

Weigh it out

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

Names and synonyms

38 names · show all
  • 1,2-Ethanediamine, N1-(2-aminoethyl)-
  • 1,2-Ethanediamine, N-(2-aminoethyl)-
  • N1-(2-Aminoethyl)-1,2-ethanediamine
  • 3-Azapentane-1,5-diamine
  • Bis(β-aminoethyl)amine
  • 2,2′-Diaminodiethylamine
  • Bis(2-aminoethyl)amine
  • N,N-Bis(2-aminoethyl)amine
  • 1,4,7-Triazaheptane
  • 1,5-Diamino-3-azapentane
  • N-(2-Aminoethyl)-1,2-ethanediamine
  • ChS-P 1
  • N-(2-Aminoethyl)ethylenediamine
  • 2,2′-Iminobis(ethanamine)
  • 2-(2-Aminoethylamino)ethylamine
  • DEH 20
  • H 9506
  • Ancamine DETA
  • Epon 3223
  • Epicure T
  • DETA
  • NSC 446
  • NCI 138881
  • Epicure 3223
  • JER Cure T
  • JER-T
  • Epicure 3290
  • P 11 (Crosslinking agent)
  • P 11
  • 3-Azapentanediyl-1,5-diamine
  • D 93856
  • ChS-P 11
  • FS-B 412
  • Epikure 3223
  • N1-(2-Aminoethyl)ethane-1,2-diamine
  • Amosil 4H
  • D 1551
  • Aradur HY 950BR

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 111-40-0. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Diethylenetriamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Triethylenetetramine112-24-392 % similar Tetraethylenepentamine112-57-292 % similar Pentaethylenehexamine4067-16-792 % similar N,N'-Bis(2-aminoethyl)-1,3-propanediamine4741-99-579 % similar 3-(Aminopropyl)ethylenediamine13531-52-773 % similar Triethylenetetramine dihydrochloride38260-01-473 % similar Cuprior4961-40-473 % similar Aminoethylethanolamine111-41-165 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylenediamine-ethylenimine copolymer25987-06-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia