chempirical

Pentaethylenehexamine

C10H28N6CAS 4067-16-7232.38 g/mol

Open in Covalent MOL file
H2NNHNHNHNHNH2
Primary amineSecondary amine

Properties

Molecular formula
C10H28N6
Molar mass
232.38 g/mol
Exact mass
232.2375 Da
Boiling point
380 °C
logP
-2.74Crippen estimate
Polar surface area
100.2 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
13

Identifiers

CAS number
4067-16-7
SMILES
NCCNCCNCCNCCNCCN
InChIKey
LSHROXHEILXKHM-UHFFFAOYSA-N
InChI
InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2

Weigh it out

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

Names and synonyms

8 names
  • 3,6,9,12-Tetraazatetradecane-1,14-diamine
  • Pentaethylenehexaamine
  • 1,4,7,10,13,16-Hexaazahexadecane
  • 3,6,9,12-Tetraazatetradecamethylenediamine
  • 1,2-Bis[[2-[(2-aminoethyl)amino]ethyl]amino]ethane
  • PEHA
  • Pentaethylene hexaamine
  • 1,14-Diamino-3,6,9,12-tetraazatetradecane

Work with Pentaethylenehexamine

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

Triethylenetetramine112-24-3100 % similar Tetraethylenepentamine112-57-2100 % similar Diethylenetriamine111-40-092 % similar Triethylenetetramine dihydrochloride38260-01-480 % similar Cuprior4961-40-480 % similar Ethylenediamine-ethylenimine copolymer25987-06-877 % similar N,N′-Bis(2-aminoethyl)-1,3-propanediamine4741-99-573 % similar 3-(Aminopropyl)ethylenediamine13531-52-769 % similar

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

Elsewhere

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