chempirical

tert-Butyldiethanolamine

C8H19NO2CAS 2160-93-2161.24 g/mol

Open in Covalent MOL file
NHOOH
AlcoholTertiary amine

Properties

Molecular formula
C8H19NO2
Molar mass
161.24 g/mol
Exact mass
161.1416 Da
Melting point
189 °C
Boiling point
136–139 °C (at 12 Torr)
logP
0.07Crippen estimate
Polar surface area
43.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
2160-93-2
SMILES
CC(C)(C)N(CCO)CCO
InChIKey
XHJGXOOOMKCJPP-UHFFFAOYSA-N
InChI
InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

18 names · show all
  • Ethanol, 2,2′-[(1,1-dimethylethyl)imino]bis-
  • Ethanol, 2,2′-(tert-butylimino)di-
  • 2,2′-[(1,1-Dimethylethyl)imino]bis[ethanol]
  • 3-tert-Butyl-3-aza-1,5-pentanediol
  • 2,2′-(tert-Butylimino)diethanol
  • N-tert-Butyldiethanolamine
  • N-tert-Butyliminodiethanol
  • N-tert-Butylbis(2-hydroxyethyl)amine
  • N-tert-Butyl-2,2′-iminodiethanol
  • tert-Butylbis(2-hydroxyethyl)amine
  • N-tert-Butyl-di(2-hydroxyethyl)amine
  • NSC 525736
  • Amino alcohol BDEA
  • N,N-Bis(2-hydroxyethyl)-tert-butylamine
  • t-BuDEA
  • 2,2′-(tert-Butylazanediyl)diethanol
  • 2-[tert-Butyl(2-hydroxyethyl)amino]ethanol
  • 2-[tert-Butyl(2-hydroxyethyl)amino]ethan-1-ol

Work with tert-Butyldiethanolamine

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

Bis-tris methane6976-37-048 % similar 1-tert-Butyl-3-hydroxyazetidine13156-04-240 % similar 1,4-Piperazinediethanol122-96-338 % similar N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine140-07-838 % similar N-Ethyldiethanolamine139-87-738 % similar 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidineethanol52722-86-837 % similar Hexahydro-1,3,5-tris(2-hydroxyethyl)-S-triazine4719-04-436 % similar Ethylene glycol mono-tert-butyl ether7580-85-036 % similar

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

Same formula

Butyldiethanolamine102-79-4 2-[2-(Diethylamino)ethoxy]ethanol140-82-9 4,4-Dimethoxy-N,N-dimethyl-1-butanamine19718-92-4 2,2-Diethoxy-N,N-dimethylethanamine3616-56-6 4,4-Diethoxy-1-butanamine6346-09-4

Elsewhere

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