N-tert-Butyl-N-(difluoroboranyl)-1,1,1-trimethylsilanamine

CAS Number: 100103-30-8
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CC(C)(C)N(B(F)F)[Si](C)(C)C
Molecule Information
Mutagenic: none Tumorigenic: low Irritant: high
Formula
C7H18NBF2Si
Molecular Weight
193.12
Drug-likeness
-41.513
CAS
100103-30-8
InChI key
ANUWFKNJPDQJKF-UHFFFAOYSA-N
SMILES
CC(C)(C)N(B(F)F)[Si](C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 100103-30-8
Molecule Name N-tert-Butyl-N-(difluoroboranyl)-1,1,1-trimethylsilanamine
Molecular Formula C7H18NBF2Si
SMILES CC(C)(C)N(B(F)F)[Si](C)(C)C
InChI InChI=1S/C7H18BF2NSi/c1-7(2,3)11(8(9)10)12(4,5)6/h1-6H3
InChI Key ANUWFKNJPDQJKF-UHFFFAOYSA-N
CanonicalSyTyLFy 52aef80d084e376d
TotalMolweight 193.12
Molecular Weight 193.12
MonoisotopicMass 193.126962
CLogP 2.9554
CLogS -1.64
H Acceptors 1
TotalSurfaceArea 148.57
Relative PSA 0.023894
PolarSurfaceArea 3.24
Drug-likeness -41.513
Mutagenic none
Tumorigenic low
Reproductive Effective none
Irritant high
Nasty Functions unwanted atom
Shape Index 0.41667
Molecula Flexibility 0.83806
Molecular Complexity 0.55452
Fragments 1
Non HAtoms 12
NonCHAtoms 5
Electronegative Atoms 3
Rotatable Bond 3
Sp3Atoms 8
Symmetricatoms 5

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