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n-butyllithium - Substance Summary (SID 589875)


Drug and Chemical Information: (Total:1)         

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Data Source:   
Depositor: NMRShiftDB
External ID: 10017082

Depositor-Supplied Synonyms: (Total: 3)
Sort:
tert-Butyllithium
Lithium, (1,1-dimethylethyl)-
InChI=1/C4H9.Li/c1-4(2)3;/h1-3H3


Properties Computed from Structure:
Molecular Weight64.05526 [g/mol]
Molecular FormulaC4H9Li
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass64.086429
MonoIsotopic Mass64.086429
Topological Polar Surface Area0
Heavy Atom Count5
Formal Charge0
Complexity8.4
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2


Descriptors Computed from Structure:
IUPAC Name: lithium 2-methylpropane
Canonical SMILES: [Li+].C[C-](C)C
InChI: InChI=1S/C4H9.Li/c1-4(2)3;/h1-3H3;/q-1;+1
InChIKey: UBJFKNSINUCEAL-UHFFFAOYSA-N


Substance Information:
SID 589875   
Deposit Date: 2006-01-25
Modify Date: 2007-02-15

CID 638178   
Create Date: 2005-07-19
Parent CID 6360
Unique Components: 2 Links

Related Substances:
Same: 18 Links

Similar Substances: 120 Links

     
Compound Displayed

2D

3D
Compound ID638178
Molecular Weight64.05526 [g/mol]
Molecular FormulaC4H9Li
H-Bond Donor0
H-Bond Acceptor1


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