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Home> Encyclopedia > Hot Product Listed 2   > 2,4-Pyrimidinediamine,5-(phenylmethyl)-
7463-34-5 structure

2,4-Pyrimidinediamine,5-(phenylmethyl)-

Iupac Name:ethyl (2Z)-2-hydroxyiminopentanoate
CAS No.:7463-34-5
Molecular Weight:159.185
Molecular Formula:C20H18O5S (isomer)
Names and Identifiers
Synonyms

2,4-diamino-5-benzylpyrimidine 5-benzyl-pyrimidine-2,4-diamine 5-benzylpyrimidine-2,4-diamine AC1Q4VQM AK194599 BW 48-224 DTXSID20223436 KB-196907 mfcd09877845 Pyrimidine,2,4-diamino-5-benzyl- (7CI,8CI) ZINC5425469

Inchi
InChI=1S/C7H13NO3/c1-3-5-6(8-10)7(9)11-4-2/h10H,3-5H2,1-2H3/b8-6-
InChkey
DQWMCYRFSUZYJX-VURMDHGXSA-N
Canonical Smiles
CCCC(=NO)C(=O)OCC
Properties
Density
1.129
Boiling Point
647.1°C at 760 mmHg
Refractive Index
1.456
Flash Point
139.3°C
Computational chemical data
  • Molecular Weight:159.185g/mol
  • Molecular Formula:C20H18O5S
  • Compound Is Canonicalized:True
  • Exact Mass:159.09
  • Monoisotopic Mass:159.09
  • Complexity:154
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:58.9A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAECAAACAihgAICCAAQBAAo AQCwCAQAAAAAAAAAAAEwAAAAABIAAAACAAAEAAAAAACIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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