chempirical

Kinetin

C10H9N5OCAS 525-79-1215.22 g/mol

Open in Covalent MOL file
OHNNNHNN
Secondary amine

Properties

Molecular formula
C10H9N5O
Molar mass
215.22 g/mol
Exact mass
215.0807 Da
Density
1.49 g/mL
Melting point
266.5 °C
pKa
2.7, 9.9
logP
1.51Crippen estimate
Polar surface area
79.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
525-79-1
SMILES
c1coc(CNc2nc[nH]c3ncnc2-3)c1
InChIKey
QANMHLXAZMSUEX-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)

Weigh it out

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Names and synonyms

15 names · show all
  • 9H-Purin-6-amine, N-(2-furanylmethyl)-
  • Adenine, N-furfuryl-
  • 1H-Purin-6-amine, N-(2-furanylmethyl)-
  • Adenine, N6-furfuryl-
  • N-(2-Furanylmethyl)-9H-purin-6-amine
  • FAP
  • N-Furfuryladenine
  • 2-Furanmethanamine, N-1H-purin-6-yl-
  • Kinetin (plant hormone)
  • 6-(Furfurylamino)purine
  • 6-Furfuryladenine
  • N6-(Furfurylamino)purine
  • N6-Furfuryladenine
  • KT
  • NSC 23119

Work with Kinetin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Benzylaminopurine1214-39-761 % similar Isopentenyladenine2365-40-447 % similar 2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol13114-27-744 % similar Zeatin1637-39-444 % similar Adenine73-24-538 % similar 6-Bromo-9H-purine767-69-138 % similar 6-Chloropurine87-42-338 % similar Kinetin riboside4338-47-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia