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78605-23-9 molecular structure
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ethyl 2-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)acetate

ChemBase ID: 134466
Molecular Formular: C10H23NO2Si2
Molecular Mass: 245.46612
Monoisotopic Mass: 245.12673205
SMILES and InChIs

SMILES:
CCOC(=O)CN1[Si](CC[Si]1(C)C)(C)C
Canonical SMILES:
CCOC(=O)CN1[Si](C)(C)CC[Si]1(C)C
InChI:
InChI=1S/C10H23NO2Si2/c1-6-13-10(12)9-11-14(2,3)7-8-15(11,4)5/h6-9H2,1-5H3
InChIKey:
NTAZFMGCNVXERO-UHFFFAOYSA-N

Cite this record

CBID:134466 http://www.chembase.cn/molecule-134466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)acetate
IUPAC Traditional name
ethyl 2-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)acetate
Synonyms
Ethyl 2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-acetate
2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-acetic acid ethyl ester
Ethyl 2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-acetate
(1-Ethoxycarbonylmethyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane
STABASE-ethyl glycinate
STABASE-甘氨酸乙酯
(1-乙氧基羰基甲基)-2,2,5,5-四甲基-1-氮杂-2,5-二硅杂环戊烷
CAS Number
78605-23-9
MDL Number
MFCD00043029
Beilstein Number
3545518
PubChem SID
24888955
162228742
PubChem CID
4305702

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4305702 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3670068  LogD (pH = 7.4) -0.82758516 
Log P 2.0957  Molar Refractivity 57.1767 cm3
Polarizability 26.585926 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
80-82 °C/0.25 mmHg(lit.) expand Show data source
Flash Point
181.4 °F expand Show data source
83 °C expand Show data source
Density
0.95 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.451 expand Show data source
n20/D 1.451(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥98.0% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C10H23NO2Si2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 87749 external link
Other Notes
Starting material for the synthesis of various α-amino acids1,2,3; Cycloaddition of its enolate with imines4,5

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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