BUTYLLITHIUM

General Information

Mainterm	BUTYLLITHIUM
CAS Reg.No.(or other ID)	109-72-8
Regnum	177.2600

From www.fda.gov

Computed Descriptors

2D Structure
CID	61028
IUPAC Name	lithium;butane
InChI	InChI=1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;/q-1;+1
InChI Key	DLEDOFVPSDKWEF-UHFFFAOYSA-N
Canonical SMILES	[Li+].CCC[CH2-]
Molecular Formula	C4H9Li
Wikipedia	n-butyllithium

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	64.056
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Complexity	7.6
CACTVS Substructure Key Fingerprint	A A A D c c h g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G A A A A A A A C A C A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	0.0
Monoisotopic Mass	64.086
Exact Mass	64.086
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic salts
Class	Organic metal salts
Subclass	Organic alkali metal salts
Intermediate Tree Nodes	Not available
Direct Parent	Organic lithium salts
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Organic lithium salt - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organic lithium salts. These are organic compounds containing a lithium ion.

From ClassyFire