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Molecule
ID:92070
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₁H₁₅NSi
Molecular Mass
189.329
Exact Mass
189.09737602
Charge
0
InChI
InChI=1S/C11H15NSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,12H2,1-3H3
InChIKey
CHTZIDLXGXGNMA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C#C[Si](C)(C)C
Isomeric Smiles
Nc1ccc(cc1)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2349334
LogD (pH = 7.4)
3.2622404
Log P
3.2626
Molar Refractivity
50.995
Polarizability
22.522362
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
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Related Proteins
No Data Available
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General Information
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IUPAC Traditional name
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IUPAC name
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MDL Number
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CAS Number
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PubChem SID
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PubChem CID
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Molecular Spectra
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Sigma Aldrich
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
PubChem
11052429
Commercial Catalog
Sigma Aldrich
686360
Apollo Scientific
OR8340
Names and Identifiers
Synonyms
4-((Trimethylsilyl)ethynyl)aniline
(4-Aminophenyl)(trimethylsilyl)acetylene
[(4-Aminophenyl)ethynyl]trimethylsilane
4[(三甲基硅基)乙炔基]苯胺
4-[(Trimethylsilyl)ethynyl]aniline
IUPAC Traditional name
4-[2-(trimethylsilyl)ethynyl]aniline
IUPAC name
4-[2-(trimethylsilyl)ethynyl]aniline
Registration numbers
MDL Number
MFCD03695479
CAS Number
75867-39-9
PubChem SID
162078768
PubChem CID
11052429
Properties
Physical Property
Melting Point
94-98°C
Source
94-98 °C
Source
Flash Point
>110°C
Source
>230 °F
Source
>110 °C
Source
Safety Information
Storage Warning
Irritant/Light Sensitive/Moisture Sensitive/Store under Argon/Keep Cold
Source
GHS Signal Word
Warning
Source
GHS Hazard statements
H315
-
H319
-
H335
-
H413
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
European Hazard Symbols
Irritant (Xi)
Source
German water hazard class
3
Source
Risk Statements
36/37/38
Source
Safety Statements
26
Source
Storage Temperature
2-8°C
Source
MSDS Link
Download link
Source
Product Information
Purity
96%
Source
Empirical Formula (Hill Notation)
C11H15NSi
Source
Molecule Details
Sigma Aldrich
686360
Packaging
1, 5 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay