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23103-98-2 molecular structure
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2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate

ChemBase ID: 129004
Molecular Formular: C11H18N4O2
Molecular Mass: 238.28622
Monoisotopic Mass: 238.14297584
SMILES and InChIs

SMILES:
Cc1c(nc(nc1OC(=O)N(C)C)N(C)C)C
Canonical SMILES:
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
InChI:
InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
InChIKey:
YFGYUFNIOHWBOB-UHFFFAOYSA-N

Cite this record

CBID:129004 http://www.chembase.cn/molecule-129004.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate
IUPAC Traditional name
pirimicarb
Synonyms
Pirimicarb
2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate
Pirimicarb
Pirimicarb solution
2-二甲氨基-5,6-二甲基嘧啶-4-二甲基氨基甲酸酯
抗蚜威
抗蚜威 溶液
CAS Number
23103-98-2
EC Number
200-835-2
245-430-1
MDL Number
MFCD00055520
Beilstein Number
663442
PubChem SID
24869352
162223306
24899289
24869146
PubChem CID
31645
KEGG ID
C11079
Wikipedia Title
Pirimicarb

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6808355  LogD (pH = 7.4) 1.7952045 
Log P 1.796882  Molar Refractivity 66.6456 cm3
Polarizability 24.34069 Å3 Polar Surface Area 58.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>100 °C expand Show data source
>212 °F expand Show data source
2 °C expand Show data source
35.6 °F expand Show data source
RTECS
EZ9100000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1648 expand Show data source
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
6.1 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
Risk Statements
11-20/21/22-36 expand Show data source
25-50/53 expand Show data source
Safety Statements
16-36/37 expand Show data source
22-37-45-60-61 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H312-H319-H332 expand Show data source
H301-H410 expand Show data source
GHS Precautionary statements
P210-P280-P305 + P351 + P338 expand Show data source
P273-P301 + P310-P501 expand Show data source
P273-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1648 3/PG 2 expand Show data source
UN 2811 6.1/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
100 ng/μL in acetonitrile expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Empirical Formula (Hill Notation)
C11H18N4O2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 31560 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 45627 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 45894 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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