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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,6-[2-(4-hydroxyphenyl)diazenyl]-
1187243-15-7 structure

2,4(1H,3H)-Pyrimidinedione,6-[2-(4-hydroxyphenyl)diazenyl]-

Iupac Name:2-oxo-1,3-dihydroindole-6-carbaldehyde
CAS No.:1187243-15-7
Molecular Weight:161.16
Molecular Formula:C23H27N3O (isomer)
Names and Identifiers
Synonyms

2,4(1H,3H)-Pyrimidinedione,6-[(4-hydroxyphenyl)azo]- (9CI) 6-(p-Hydroxyphenylazo)uracil NSC 194250 NSC 677287 Uracil, 6-[(p-hydroxyphenyl)azo]- (7CI,8CI)

Inchi
InChI=1S/C9H7NO2/c11-5-6-1-2-7-4-9(12)10-8(7)3-6/h1-3,5H,4H2,(H,10,12)
InChkey
QLGVTXYFXZTQTJ-UHFFFAOYSA-N
Canonical Smiles
C1C2=C(C=C(C=C2)C=O)NC1=O
Properties
Density
1.019
Boiling Point
253.8°Cat760mmHg
Safety and Handling
Safety

Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Toxicity
1.    

oms-bcs 20 mg/L

    JOBAAY    Journal of Bacteriology. 126 (1976),108.
2.    

dni-bcs 25 mg/L

    JOBAAY    Journal of Bacteriology. 126 (1976),108.
3.    

pic-bcs 100 µmol/L

    JOVIAM    Journal of Virology. 14 (1974),1470.
4.    

dni-omi 6 µmol/L

    FOMIAZ    Folia Microbiologica (Prague). (Academia, Vodickova 40, CS-112 29 Prague 1, 27 (1982),7.
Specification

 6-((p-Hydroxyphenyl)azo)uracil ,its CAS NO. is 29050-86-0,the synonyms is Hydroxyphenylazouracil ; 5-25-18-00244 (Beilstein Handbook Reference) ; BRN 0919894 ; NSC 194250 ; 2,4(1H,3H)-Pyrimidinedione, 6-((4-hydroxyphenyl)azo)- (9CI) ; Uracil, 6-((p-hydroxyphenyl)azo)- .

Computational chemical data
  • Molecular Weight:161.16g/mol
  • Molecular Formula:C23H27N3O
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.6
  • Exact Mass:161.048
  • Monoisotopic Mass:161.048
  • Complexity:215
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:46.2A^2
  • Heavy Atom Count:12
  • 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: AAADcYByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgAQAAAADAihmAIwwILAAACI Ai1S0ACCAAAlAgAIiAEAZMgIIDLAlZGEIQhglADIyYcciMCOQAAAQAACAACAAACAAAQAAAAAAAAA AA==
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