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3587-12-0 molecular structure
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methyl N-ethyl-N-(tributylstannyl)carbamate

ChemBase ID: 136990
Molecular Formular: C16H35NO2Sn
Molecular Mass: 392.1556
Monoisotopic Mass: 393.16897337
SMILES and InChIs

SMILES:
CCCC[Sn](CCCC)(CCCC)N(CC)C(=O)OC
Canonical SMILES:
CCCC[Sn](N(C(=O)OC)CC)(CCCC)CCCC
InChI:
InChI=1S/C4H9NO2.3C4H9.Sn/c1-3-5-4(6)7-2;3*1-3-4-2;/h3H2,1-2H3,(H,5,6);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey:
YTPREKJCVBYQMI-UHFFFAOYSA-M

Cite this record

CBID:136990 http://www.chembase.cn/molecule-136990.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl N-ethyl-N-(tributylstannyl)carbamate
IUPAC Traditional name
methyl N-ethyl-N-(tributylstannyl)carbamate
Synonyms
Methyl ethyl(tributylstannyl)carbamate
甲基乙基(三丁基锡)氨基甲酸酯
CAS Number
3587-12-0
MDL Number
MFCD00192296
PubChem SID
24866697
162231256
PubChem CID
3384006

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
426334 external link Add to cart Please log in.
Data Source Data ID
PubChem 3384006 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4025  LogD (pH = 7.4) 4.4025 
Log P 4.4025  Molar Refractivity 83.8125 cm3
Polarizability 37.49976 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds 12  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
90 °C/0.05 mmHg(lit.) expand Show data source
Flash Point
168.8 °F expand Show data source
76 °C expand Show data source
Density
1.143 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.479(lit.) expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2788 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
21-25-36/38-48/23/25-50/53 expand Show data source
Safety Statements
35-36/37/39-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H312-H315-H319-H373-H400 expand Show data source
GHS Precautionary statements
P273-P280-P301 + P310-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2788 6.1/PG 3 expand Show data source
Linear Formula
[CH3(CH2)3]3SnN(C2H5)CO2CH3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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