chempirical

Zeatin

C10H13N5OCAS 1637-39-4219.25 g/mol

Open in Covalent MOL file
HNNNHNNHO
AlcoholAlkeneSecondary amine

Properties

Molecular formula
C10H13N5O
Molar mass
219.25 g/mol
Exact mass
219.1120 Da
Melting point
207.5 °C
logP
0.66Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1637-39-4
SMILES
C/C(=CCNc1nc[nH]c2ncnc1-2)CO
InChIKey
UZKQTCBAMSWPJD-FARCUNLSSA-N
InChI
InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 2-Buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-, (2E)-
  • 2-Buten-1-ol, 2-methyl-4-(purin-6-ylamino)-, (E)-
  • 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (E)-
  • 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (2E)-
  • (2E)-2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol
  • trans-Zeatin
  • Zeatine
  • N6-(4-Hydroxy-3-methyl-trans-2-butenyl)adenine
  • trans-6-(4-Hydroxy-3-methylbut-2-enyl)amino purine
  • 6-(4-Hydroxy-3-methyl-trans-2-butenylamino)purine
  • (E)-Zeatin
  • ZT
  • ZTA

Work with Zeatin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol13114-27-7

Similar compounds

Isopentenyladenine2365-40-473 % similar 6-Benzylaminopurine1214-39-748 % similar Kinetin525-79-144 % similar Zeatin riboside6025-53-238 % similar Adenine73-24-536 % similar 6-Bromo-9H-purine767-69-136 % similar 6-Chloropurine87-42-336 % similar Adenine hydrochloride2922-28-334 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia