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133407-38-2 molecular structure
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(methoxymethyl)[(1S)-1-phenylethyl][(trimethylsilyl)methyl]amine

ChemBase ID: 302587
Molecular Formular: C14H25NOSi
Molecular Mass: 251.4399
Monoisotopic Mass: 251.17054096
SMILES and InChIs

SMILES:
C[C@@H](c1ccccc1)N(COC)C[Si](C)(C)C
Canonical SMILES:
COCN([C@H](c1ccccc1)C)C[Si](C)(C)C
InChI:
InChI=1S/C14H25NOSi/c1-13(14-9-7-6-8-10-14)15(11-16-2)12-17(3,4)5/h6-10,13H,11-12H2,1-5H3/t13-/m0/s1
InChIKey:
FRQGYHCIEIDEAD-ZDUSSCGKSA-N

Cite this record

CBID:302587 http://www.chembase.cn/molecule-302587.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(methoxymethyl)[(1S)-1-phenylethyl][(trimethylsilyl)methyl]amine
IUPAC Traditional name
(methoxymethyl)[(1S)-1-phenylethyl][(trimethylsilyl)methyl]amine
Synonyms
(R)-(+)-N-Methoxymethyl-N-(trimethylsilyl)methyl-1-phenylethylamine
(R)-(+)-N-甲氧基甲基-N-(三甲基甲硅基)甲基-1-苯乙胺
CAS Number
133407-38-2
MDL Number
MFCD06798959
Beilstein Number
4745464

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L19413 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8309741  LogD (pH = 7.4) 3.640469 
Log P 4.7249  Molar Refractivity 70.2438 cm3
Polarizability 30.23138 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
82-84°C/0.2mm expand Show data source
Density
0.926 expand Show data source
Refractive Index
1.4930 expand Show data source
Optical Rotation
+47 (c=1 in carbon tetrachloride) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
tech. 85% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • The azomethine ylide, from the reaction with TFA in DCM, showed high facial selectivity in additions to chiral unsaturated bicyclic lactams: J. Org. Chem., 61, 3362(1996).
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PATENTS

PATENTS

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INTERNET

INTERNET

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