chempirical

Triethanolamine borate

C6H12BNO3CAS 283-56-7156.98 g/mol

Open in Covalent MOL file
NOBOO
Tertiary amine

Properties

Molecular formula
C6H12BNO3
Molar mass
156.98 g/mol
Exact mass
157.0910 Da
Melting point
245–247 °C
logP
-0.65Crippen estimate
Polar surface area
30.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
283-56-7
SMILES
C1CN2CCOB(O1)OCC2
InChIKey
NKPKVNRBHXOADG-UHFFFAOYSA-N
InChI
InChI=1S/C6H12BNO3/c1-4-9-7-10-5-2-8(1)3-6-11-7/h1-6H2

Weigh it out

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

Names and synonyms

12 names
  • 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane
  • Ethanol, 2,2′,2′′-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1)
  • Ethanol, 2,2′,2′′-nitrilotri-, cyclic borate
  • Ethanol, 2,2′,2′′-nitrilotri-, borate
  • Boratran
  • Boratrane
  • Boron, [[2,2′,2′′-nitrilotris[ethanolato]](3-)]-
  • Ethanol, 2,2′,2′′-nitrilotris-, cyclic ester with boric acid (H3BO3) (1:1)
  • Atracor T
  • NSC 5220
  • Arborite binder 75
  • DX 6215

Work with Triethanolamine borate

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

2,2′-[1,3-Propanediylbis(oxy)]bis[1,3,2-dioxaborinane]20905-35-547 % similar Dimorpholinodiethyl ether6425-39-447 % similar 2.2.2-Cryptand23978-09-844 % similar Tripropyl borate688-71-140 % similar Dimorpholinomethane5625-90-135 % similar 4-Morpholineethanamine2038-03-135 % similar 4-(2-Chloroethyl)morpholine3240-94-635 % similar 4-Morpholineethanol622-40-235 % similar

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

Same formula

(T-4)-[[2,2′,2′′-(Nitrilo-κN)tris[ethanolato-κO]](3-)]boron15277-97-1

Elsewhere

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