chempirical

(3-Aminopropyl)diethanolamine

C7H18N2O2CAS 4985-85-7162.23 g/mol

Open in Covalent MOL file
H2NNOHOH
AlcoholPrimary amineTertiary amine

Properties

Molecular formula
C7H18N2O2
Molar mass
162.23 g/mol
Exact mass
162.1368 Da
Boiling point
158 °C (at 2 Torr)
logP
-1.38Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4985-85-7
SMILES
NCCCN(CCO)CCO
InChIKey
FKJVYOFPTRGCSP-UHFFFAOYSA-N
InChI
InChI=1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2

Weigh it out

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

Names and synonyms

20 names · show all
  • Ethanol, 2,2′-[(3-aminopropyl)imino]bis-
  • Ethanol, 2,2′-[(3-aminopropyl)imino]di-
  • 2,2′-[(3-Aminopropyl)imino]bis[ethanol]
  • N-(3-Aminopropyl)diethanolamine
  • N,N-Bis(2-hydroxyethyl)-1,3-propanediamine
  • N,N-Di(2-hydroxyethyl)-1,3-propanediamine
  • 2,2′-[(3-Aminopropyl)imino]diethanol
  • 3-[Bis(2-hydroxyethyl)amino]propylamine
  • N,N-Bis(2-hydroxyethyl)-1,3-diaminopropane
  • N-(3-Aminopropyl)-N,N-bis(2-hydroxyethyl)amine
  • N,N-Bis(2-hydroxyethyl)-3-aminopropylamine
  • N-3-Aminopropyl-N,N-di(2-hydroxyethyl)amine
  • NSC 8172
  • 2-[(3-Aminopropyl)(2-hydroxyethyl)amino]ethanol
  • (3-Aminopropyl)bis(2-hydroxyethyl)amine
  • [3-(Diethanolamino)propyl]amine
  • N-(3-Aminopropyl)-N,N-diethanolamine.
  • 3-[N,N-(Diethanol)amino]propylamine
  • N-(3-Aminopropyl)-3-azapentane-1,5-diol
  • 2-[(3-Aminopropyl)(2-hydroxyethyl)amino]ethan-1-ol

Work with (3-Aminopropyl)diethanolamine

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-Pyrrolidinepropanamine23159-07-165 % similar 1-Pyrrolidineethanol2955-88-665 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-365 % similar 1-Piperidineethanol3040-44-662 % similar 3-(Azepan-1-yl)propan-1-amine3437-33-062 % similar 1-Piperidinepropanamine3529-08-662 % similar 4-(Pyrrolidin-1-yl)butan-1-amine24715-90-057 % similar 1-Aziridineethanol1072-52-255 % similar

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

Elsewhere

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