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Pyrimidine, 1,4,5,6-tetrahydro-2-pentadecyl- structure

Pyrimidine, 1,4,5,6-tetrahydro-2-pentadecyl-

 
1. Names and Identifiers
1.1 Name
Pyrimidine, 1,4,5,6-tetrahydro-2-pentadecyl-
1.2 Synonyms
2-PENTADECYL-1,4,5,6-TETRAHYDROPYRIMIDINE; CTK3B7595; DTXSID20524632;
1.3 CAS No.
88122-40-1
1.4 CID
13172831
1.5 Molecular Formula
C19H38N2
1.6 Inchi
InChI=1S/C19H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20-17-15-18-21-19/h2-18H2,1H3,(H,20,21)
1.7 InChkey
QIKFZKILXYYTME-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCCCCCCCCCCCC1=NCCCN1
1.9 Isomers Smiles
CCCCCCCCCCCCCCCC1=NCCCN1
2. Synthesis Route
88122-40-1Total: 2 Synthesis Route
 
5518-18-3
5518-18-3 2 Suppliers
 
109-76-2
109-76-2 117 Suppliers
 
 
 
109-76-2
109-76-2 117 Suppliers
 
3. Precursor and Product
precursor:
product:
4. Computed Properties
  • Molecular Weight:294.5g/mol
  • Molecular Formula:C19H38N2
  • Compound Is Canonicalized:True
  • Exact Mass:6.9
  • XLogP3-AA:294.303499221
  • Monoisotopic Mass:294.303499221
  • Complexity:248
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:24.4
  • Heavy Atom Count::21
  • 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:AAADcfB7AAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHAAQAAAACADBAAQDAALAAAAgAAIgJAAAAAEAAAABAIA4AAAAAAIAyAAEAAAAEACAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Realated Product Infomation
 
 
 
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