(2E)-N-[3-(Trimethoxysilyl)propyl]butan-2-imine

CAS Number: 153821-57-9
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CC/C(/C)=N/CCC[Si](OC)(OC)OC
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
C10H23NO3Si
Molecular Weight
233.383
Drug-likeness
-90.373
CAS
153821-57-9
InChI key
XRONIPAEEPVKCD-UHFFFAOYSA-N
SMILES
CC/C(/C)=N/CCC[Si](OC)(OC)OC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 153821-57-9
Molecule Name (2E)-N-[3-(Trimethoxysilyl)propyl]butan-2-imine
Molecular Formula C10H23NO3Si
SMILES CC/C(/C)=N/CCC[Si](OC)(OC)OC
InChI InChI=1S/C10H23NO3Si/c1-6-10(2)11-8-7-9-15(12-3,13-4)14-5/h6-9H2,1-5H3
InChI Key XRONIPAEEPVKCD-UHFFFAOYSA-N
CanonicalSyTyLFy c5caf1d4749c8ec5
TotalMolweight 233.383
Molecular Weight 233.383
MonoisotopicMass 233.144721
CLogP 0.9485
CLogS -1.768
H Acceptors 4
TotalSurfaceArea 196.31
Relative PSA 0.21145
PolarSurfaceArea 40.05
Drug-likeness -90.373
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Shape Index 0.66667
Molecula Flexibility 0.74874
Molecular Complexity 0.44158
Fragments 1
Non HAtoms 15
NonCHAtoms 5
Electronegative Atoms 4
Rotatable Bond 8
Sp3Atoms 12
Symmetricatoms 4
BasicNitrogens 1

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