chempirical

1,4-Piperazinediethanamine

C8H20N4CAS 6531-38-0172.28 g/mol

Open in Covalent MOL file
H2NNNNH2
Primary amineTertiary amine

Properties

Molecular formula
C8H20N4
Molar mass
172.28 g/mol
Exact mass
172.1688 Da
Density
0.9675 g/mL (at 25 °C)
Melting point
40 °C
Boiling point
130 °C (at 12 Torr)
logP
-1.48Crippen estimate
Polar surface area
58.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Identifiers

CAS number
6531-38-0
SMILES
NCCN1CCN(CCN)CC1
InChIKey
PAOXFRSJRCGJLV-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N4/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-10H2

Weigh it out

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

Names and synonyms

10 names
  • Piperazine, 1,4-bis(2-aminoethyl)-
  • N,N′-Bis(2-aminoethyl)piperazine
  • 1,4-Bis(2-aminoethyl)piperazine
  • 1,4-Piperazinediethylamine
  • 1,4-Bis(2-aminoethyl)-1,4-diazacyclohexane
  • [2-[4-(2-Aminoethyl)piperazin-1-yl]ethyl]amine
  • 2,2′-(Piperazine-1,4-diyl)diethanamine
  • 2,2′-(1,4-Piperazinediyl)diethanamine
  • 2-[4-(2-Aminoethyl)piperazin-1-yl]ethanamine
  • 2-[4-(2-Aminoethyl)piperazin-1-yl]ethan-1-amine

Work with 1,4-Piperazinediethanamine

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

Tris(2-aminoethyl)amine4097-89-692 % similar 1-Pyrrolidineethanamine7154-73-673 % similar 1-Piperidineethanamine27578-60-569 % similar 2-(4-Methylpiperazin-1-yl)ethylamine934-98-567 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-363 % similar Aminoethylpiperazine140-31-861 % similar 4-Morpholineethanamine2038-03-161 % similar N,N-Diethylethylenediamine100-36-756 % similar

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

Same formula

Cyclen294-90-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook