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7696-12-0 molecular structure
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(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

ChemBase ID: 129804
Molecular Formular: C19H25NO4
Molecular Mass: 331.4061
Monoisotopic Mass: 331.17835829
SMILES and InChIs

SMILES:
O=C1C2=C(C(=O)N1COC(=O)C1C(C=C(C)C)C1(C)C)CCCC2
Canonical SMILES:
O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2
InChI:
InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3
InChIKey:
CXBMCYHAMVGWJQ-UHFFFAOYSA-N

Cite this record

CBID:129804 http://www.chembase.cn/molecule-129804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
IUPAC Traditional name
tetramethrin
Synonyms
Tetramethrin
Tetramethrin
胺菊酯
CAS Number
7696-12-0
EC Number
231-711-6
MDL Number
MFCD00084635
Beilstein Number
8807938
PubChem SID
24899093
24869241
162224092
PubChem CID
83975
CHEBI ID
39397
ATC CODE
QP53AC13
Chemspider ID
75773
KEGG ID
D07368
Unique Ingredient Identifier
Z72930Q46K
Wikipedia Title
Tetramethrin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0898683  LogD (pH = 7.4) 3.0898683 
Log P 3.0898683  Molar Refractivity 90.1875 cm3
Polarizability 35.11863 Å3 Polar Surface Area 63.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
65-80 °C expand Show data source
RTECS
GZ1730000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
50/53 expand Show data source
Safety Statements
60-61 expand Show data source
GHS Pictograms
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H410 expand Show data source
GHS Precautionary statements
P273-P501 expand Show data source
Personal Protective Equipment
Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Packaging
ampule of 100 mg expand Show data source
Empirical Formula (Hill Notation)
C19H25NO4 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 45681 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

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