(2E)-N-Ethyl-1-(tributylstannyl)propan-2-imine

CAS Number: 61385-73-7
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CCCC[Sn](CCCC)(CCCC)C/C(/C)=N/CC
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: low
Formula
C17H37NSn
Molecular Weight
374.198
Drug-likeness
-5.3389
CAS
61385-73-7
InChI key
PQTMERNJXQRTDM-UHFFFAOYSA-N
SMILES
CCCC[Sn](CCCC)(CCCC)C/C(/C)=N/CC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 61385-73-7
Molecule Name (2E)-N-Ethyl-1-(tributylstannyl)propan-2-imine
Molecular Formula C17H37NSn
SMILES CCCC[Sn](CCCC)(CCCC)C/C(/C)=N/CC
InChI InChI=1S/C5H10N.3C4H9.Sn/c1-4-6-5(2)3;3*1-3-4-2;/h2,4H2,1,3H3;3*1,3-4H2,2H3;
InChI Key PQTMERNJXQRTDM-UHFFFAOYSA-N
CanonicalSyTyLFy cef9caa7d4480ab5
TotalMolweight 374.198
Molecular Weight 374.198
MonoisotopicMass 375.194799
CLogP 6.4537
CLogS -12.352
H Acceptors 1
TotalSurfaceArea 262.63
Relative PSA 0.043826
PolarSurfaceArea 12.36
Drug-likeness -5.3389
Mutagenic high
Tumorigenic none
Reproductive Effective low
Irritant low
Nasty Functions unwanted atom
Shape Index 0.52632
Molecula Flexibility 0.81423
Molecular Complexity 0.47083
Fragments 1
Non HAtoms 19
NonCHAtoms 2
Metal Atoms 1
Electronegative Atoms 1
Rotatable Bond 12
Sp3Atoms 16
Symmetricatoms 8
BasicNitrogens 1

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