1-[Dimethyl(phenyl)silyl]methanamine--hydrogen chloride (1/1)

CAS Number: 17881-78-6
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C[Si](C)(CN)c1ccccc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
HCl.C9H15NSi
Molecular Weight
165.311
Drug-likeness
-44.488
CAS
17881-78-6
InChI key
ZOWCMMQFSJWBRC-UHFFFAOYSA-N
SMILES
C[Si](C)(CN)c1ccccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 17881-78-6
Molecule Name 1-[Dimethyl(phenyl)silyl]methanamine--hydrogen chloride (1/1)
Molecular Formula HCl.C9H15NSi
SMILES C[Si](C)(CN)c1ccccc1.Cl
InChI InChI=1S/C9H15NSi.ClH/c1-11(2,8-10)9-6-4-3-5-7-9;/h3-7H,8,10H2,1-2H3;1H
InChI Key ZOWCMMQFSJWBRC-UHFFFAOYSA-N
CanonicalSyTyLFy db0e781770e0b0b3
TotalMolweight 201.772
Molecular Weight 165.311
MonoisotopicMass 165.097376
CLogP 2.3037
CLogS -2.353
H Acceptors 1
H Donors 1
TotalSurfaceArea 133.56
Relative PSA 0.11433
PolarSurfaceArea 26.02
Drug-likeness -44.488
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant high
Shape Index 0.63636
Molecula Flexibility 0.59963
Molecular Complexity 0.55452
Fragments 2
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 3
Amines 1
AlkylAmines 1
BasicNitrogens 1

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