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4- (4-Tributylstannanyl-phenyl) -Morpholine

CAT: 0926-FT43961-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FT43961-01Size:1 g
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CAS Number
1257527-55-1
MDL Number
MFCD17677170
Smiles
CCCC[Sn] (CCCC) (CCCC) C1=CC=C (C=C1) N2CCOCC2
Molecular Formula
C22H39NOSn
Molecular Weight
452.26 g/mol
Controlled
Yes

Chemical Information

4-(4-(Tributylstannyl)phenyl)morpholine
CAS Number1257527-55-1
PubChem CID68297642
IUPAC Nametributyl-(4-morpholin-4-ylphenyl)stannane
Molecular FormulaC22H39NOSn
Molecular Weight452.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity313
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)N2CCOCC2
InChI
InChI=1S/C10H12NO.3C4H9.Sn/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;3*1-3-4-2;/h2-5H,6-9H2;3*1,3-4H2,2H3;
InChIKey
VIPDIXBRZHVCRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(Tributylstannyl)phenyl)morpholine
CAS: 1257527-55-1
CID: 68297642
Formula: C22H39NOSn
MW: 452.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight452.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass453.205367
Monoisotopic Mass453.205367
Topological Polar Surface Area12.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity313
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