((Trimethylsilyl)methyl)urea

CAS Number: 3-6-5663
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C[Si](C)(C)CNC(N)=O
Molecule Information
Mutagenic: none Tumorigenic: low Irritant: high
Formula
C5H14N2OSi
Molecular Weight
146.265
Drug-likeness
-47.295
CAS
3-6-5663
InChI key
HWXJDLBJPSCNJL-UHFFFAOYSA-N
SMILES
C[Si](C)(C)CNC(N)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 3-6-5663
Molecule Name ((Trimethylsilyl)methyl)urea
Molecular Formula C5H14N2OSi
SMILES C[Si](C)(C)CNC(N)=O
InChI InChI=1S/C5H14N2OSi/c1-9(2,3)4-7-5(6)8/h4H2,1-3H3,(H3,6,7,8)
InChI Key HWXJDLBJPSCNJL-UHFFFAOYSA-N
CanonicalSyTyLFy 9973b3b82e8f81e9
TotalMolweight 146.265
Molecular Weight 146.265
MonoisotopicMass 146.08754
CLogP 1.4031
CLogS -2.099
H Acceptors 3
H Donors 2
TotalSurfaceArea 115.27
Relative PSA 0.34502
PolarSurfaceArea 55.12
Drug-likeness -47.295
Mutagenic none
Tumorigenic low
Reproductive Effective none
Irritant high
Shape Index 0.66667
Molecula Flexibility 0.77029
Molecular Complexity 0.44794
Fragments 1
Non HAtoms 9
NonCHAtoms 4
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 4
Symmetricatoms 2
Amides 2

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