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Home> Encyclopedia > Hot Product Listed 5   > 5-Pyrimidineaceticacid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester
101259-83-0 structure

5-Pyrimidineaceticacid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester

Iupac Name:N',N'-diethyl-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CAS No.:101259-83-0
Molecular Weight:234.387
Molecular Formula:C20H27NO3 (isomer)
Names and Identifiers
Synonyms

5-Pyrimidineacetic acid,4-hydroxy-2-methyl-, ethyl ester (8CI) 5-Pyrimidineaceticacid, 1,4-dihydro-2-methyl-4-oxo-, ethyl ester (9CI) AC1L6P47 AKOS024255910 DTXSID80304351 ethyl (2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetate ethyl 2-(2-methyl-4-oxo-3h-pyrimidin-5-yl)acetate ethyl 2-(2-methyl-6-oxo-1h-pyrimidin-5-yl)acetate ethyl 2-(4-hydroxy-2-methylpyrimidin-5-yl)acetate HE214567 MCULE-6514585596 NSC 165490 nsc165490 nsc-165490 SC-32448 SCHEMBL17971178 ZINC16998012

Inchi
InChI=1S/C15H26N2/c1-6-17(7-2)9-8-16-15-13(4)10-12(3)11-14(15)5/h10-11,16H,6-9H2,1-5H3
InChkey
LNVBKHMBEBVVAT-UHFFFAOYSA-N
Canonical Smiles
CCN(CC)CCNC1=C(C=C(C=C1C)C)C
Properties
Boiling Point
473.8°Cat760mmHg
Vapour
6.07E-05mmHg at 25°C
Refractive Index
1.536
Flash Point
250.7°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:234.387g/mol
  • Molecular Formula:C20H27NO3
  • Compound Is Canonicalized:True
  • Exact Mass:234.21
  • Monoisotopic Mass:234.21
  • Complexity:189
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:15.3A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAQAAAADAjBGAQywIPAAACA AiRCQACCAAAhAAAAiIAIRIgIYCLAkZGUIAhgkADIyAcQgEAOCAACAAACAAAQAAQAAAQAAAAAAAAA AA==
 
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