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Molecule
ID:134745
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₉H₂₄ClNO₃Si
Molecular Mass
257.83026
Exact Mass
257.12139785
Charge
0
InChI
InChI=1S/C9H24NO3Si.ClH/c1-10(2,3)8-7-9-14(11-4,12-5)13-6;/h7-9H2,1-6H3;1H/q+1;/p-1
InChIKey
FYZFRYWTMMVDLR-UHFFFAOYSA-M
Canonic Smiles
CO[Si](CCC[N+](C)(C)C)(OC)OC.[Cl-]
Isomeric Smiles
C[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-3.9428742
LogD (pH = 7.4)
-3.9428742
Log P
-3.9428742
Molar Refractivity
65.3879
Polarizability
23.804352
Polar Surface Area
27.69
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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Synonyms
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IUPAC name
Registration numbers
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
Properties
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Product Information
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Safety Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
595888
Academic Data
PubChem
94462
Names and Identifiers
IUPAC Traditional name
trimethyl[3-(trimethoxysilyl)propyl]azanium chloride
Synonyms
3-(三甲氧基硅基)丙基-N,N,N-三甲基氯化铵-15N
3-(Trimethoxysilyl)propyl-N,N,N-trimethylammonium-15N chloride
IUPAC name
trimethyl[3-(trimethoxysilyl)propyl]azanium chloride
Registration numbers
CAS Number
35141-36-7
MDL Number
MFCD00054225
PubChem SID
162229021
PubChem CID
94462
Properties
Product Information
Purity
97% (CP)
Source
Empirical Formula (Hill Notation)
C9H24Cl15NO3Si
Source
Isotopic Purity
98 atom % 15N
Source
Mol. Weight
mol wt 258.83 by atom % calculation
Source
Safety Information
MSDS Link
Download link
Source
German water hazard class
3
Source
European Hazard Symbols
Harmful (Xn)
Source
GHS Hazard statements
H302
-
H312
-
H315
-
H319
-
H332
-
H335
Source
GHS Signal Word
Warning
Source
Safety Statements
26
-
36
Source
Risk Statements
20/21/22
-
36/37/38
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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Precautionary statements
P261
-
P280
-
P305+P351+P338
Source
Physical Property
Melting Point
163 °C(lit.)
Source
Molecule Details
Sigma Aldrich
595888
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay