(1,4-Phenylene)bis(1,1-dimethyl-N-phenylsilanamine)

CAS Number: 62750-69-0
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C[Si](C)(c(cc1)ccc1[Si](C)(C)Nc1ccccc1)Nc1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: low Irritant: high
Formula
C22H28N2Si2
Molecular Weight
376.65
Drug-likeness
-46.152
CAS
62750-69-0
InChI key
PLTVZHPAACEMAK-UHFFFAOYSA-N
SMILES
C[Si](C)(c(cc1)ccc1[Si](C)(C)Nc1ccccc1)Nc1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 62750-69-0
Molecule Name (1,4-Phenylene)bis(1,1-dimethyl-N-phenylsilanamine)
Molecular Formula C22H28N2Si2
SMILES C[Si](C)(c(cc1)ccc1[Si](C)(C)Nc1ccccc1)Nc1ccccc1
InChI InChI=1S/C22H28N2Si2/c1-25(2,23-19-11-7-5-8-12-19)21-15-17-22(18-16-21)26(3,4)24-20-13-9-6-10-14-20/h5-18,23-24H,1-4H3
InChI Key PLTVZHPAACEMAK-UHFFFAOYSA-N
CanonicalSyTyLFy a46462f1495311bb
TotalMolweight 376.65
Molecular Weight 376.65
MonoisotopicMass 376.179102
CLogP 6.7292
CLogS -5.522
H Acceptors 2
H Donors 2
TotalSurfaceArea 291.74
Relative PSA 0.078563
PolarSurfaceArea 24.06
Drug-likeness -46.152
Mutagenic none
Tumorigenic low
Reproductive Effective none
Irritant high
Shape Index 0.61538
Molecula Flexibility 0.56681
Molecular Complexity 0.70181
Fragments 1
Non HAtoms 26
NonCHAtoms 4
Electronegative Atoms 2
Rotatable Bond 6
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 18
Sp3Atoms 4
Symmetricatoms 17

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