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Home> Hot Product Listed 1   > 1H-Purin-6-amine-2-13C
60706-59-4 structure

1H-Purin-6-amine-2-13C

Iupac Name:3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CAS No.:60706-59-4
Molecular Weight:153.229
Molecular Formula:C14H19N3O4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C8H15N3/c1-5(2)11-7(4)8(9)6(3)10-11/h5H,9H2,1-4H3
InChkey
YWDXPQXEGATNSX-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=NN1C(C)C)C)N
Properties
Density
1.204
Computational chemical data
  • Molecular Weight:153.229g/mol
  • Molecular Formula:C14H19N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:153.127
  • Monoisotopic Mass:153.127
  • Complexity:135
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:11
  • 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
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