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3- (Tributylstannyl) quinoline

CAT: 0926-RGA11472Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0926-RGA11472Size:5000 mg
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CAS Number
166114-72-3
MDL Number
MFCD01114678
Smiles
CCCC[Sn] (CCCC) (CCCC) C1=CC2=CC=CC=C2N=C1
Molecular Formula
C21H33NSn
Molecular Weight
418.2 g/mol
Controlled
Yes

Chemical Information

3-(Tributylstannyl)quinoline
CAS Number166114-72-3
PubChem CID15208276
IUPAC Nametributyl(quinolin-3-yl)stannane
Molecular FormulaC21H33NSn
Molecular Weight418.2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity295
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C9H6N.3C4H9.Sn/c1-2-6-9-8(4-1)5-3-7-10-9;3*1-3-4-2;/h1-2,4-7H;3*1,3-4H2,2H3;
InChIKey
GRCFGVMZXVNIFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Tributylstannyl)quinoline
CAS: 166114-72-3
CID: 15208276
Formula: C21H33NSn
MW: 418.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight418.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Exact Mass419.163503
Monoisotopic Mass419.163503
Topological Polar Surface Area12.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity295
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes