chempirical

6-Benzylaminopurine

C12H11N5CAS 1214-39-7225.26 g/mol

Open in Covalent MOL file
HNNNHNN
Secondary amine

Properties

Molecular formula
C12H11N5
Molar mass
225.26 g/mol
Exact mass
225.1014 Da
Melting point
233 °C
logP
1.92Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
1214-39-7
SMILES
c1ccc(CNc2nc[nH]c3ncnc2-3)cc1
InChIKey
NWBJYWHLCVSVIJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)

Weigh it out

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

Names and synonyms

36 names · show all
  • 9H-Purin-6-amine, N-(phenylmethyl)-
  • Adenine, N-benzyl-
  • 1H-Purin-6-amine, N-(phenylmethyl)-
  • Adenine, N6-benzyl-
  • N-(Phenylmethyl)-9H-purin-6-amine
  • Benzyladenine
  • SD 4901
  • 6-Benzyladenine
  • N-Benzyladenine
  • 6-(Benzylamino)purine
  • SQ 4609
  • BA (growth stimulant)
  • BAP
  • BAP (growth stimulant)
  • BA
  • 6-BA
  • N6-Benzyladenine
  • Benzylaminopurine
  • 6-BAP
  • 6-(N-Benzylamino)purine
  • ABG 3034
  • N-(Phenylmethyl)-1H-purin-6-amine
  • Cytokinin B
  • N6-(Benzylamino)purine
  • Pro-shear
  • N6-Benzylaminopurine
  • TOG-L 101
  • CyLex
  • Paturyl
  • Paturyl 10WSC
  • NSC 40818
  • MaxCel
  • 6-Benzylaminoadenine
  • CTP
  • Bongrow
  • Cytokinin 6BA

Work with 6-Benzylaminopurine

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

Kinetin525-79-161 % similar Isopentenyladenine2365-40-451 % similar 2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol13114-27-748 % similar Zeatin1637-39-448 % similar Adenine73-24-542 % similar 6-Bromo-9H-purine767-69-142 % similar 6-Chloropurine87-42-342 % similar 2-(Benzylamino)pyridine6935-27-941 % similar

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

Elsewhere

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