chempirical

L-Selectride

C12H28BLiCAS 38721-52-7190.11 g/mol

Open in Covalent MOL file
BH−Li+

Properties

Molecular formula
C12H28BLi
Molar mass
190.11 g/mol
Exact mass
190.2444 Da
logP
1.62Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
38721-52-7
SMILES
CCC(C)[BH-](C(C)CC)C(C)CC.[Li+]
InChIKey
ACJKNTZKEFMEAK-UHFFFAOYSA-N
InChI
InChI=1S/C12H28B.Li/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-13H,7-9H2,1-6H3;/q-1;+1

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Names and synonyms

9 names
  • Borate(1-), hydrotris(1-methylpropyl)-, lithium (1:1), (T-4)-
  • Borate(1-), hydrotris(1-methylpropyl)-, lithium, (T-4)-
  • Lithium tri-sec-butylborohydride
  • Lithium tri-sec-butylhydroborate(1-)
  • Lithium tris(sec-butyl)borohydride
  • Lithium selectride
  • Lithium hydrotri-s-butylborate
  • Lithium tris(s-butyl)hydroborate(1-)
  • Lithium tri(s-butyl)borohydride

Work with L-Selectride

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

3,4-Dimethylhexane583-48-233 % similar Isopentane78-78-433 % similar 3-Methylpentane96-14-033 % similar Lithium triethylborohydride22560-16-332 % similar 1-(1-Methylpropyl)piperazine34581-21-031 % similar 3-Ethyl-2-methylpentane609-26-730 % similar 3,5-Dimethylheptane926-82-930 % similar

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

Elsewhere

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