Chemical Properties of Benzyladenine (CAS 1214-39-7)

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)

InChI Key

NWBJYWHLCVSVIJ-UHFFFAOYSA-N

Formula

C12H11N5

SMILES

c1ccc(CNc2ncnc3[nH]cnc23)cc1

Molecular Weight¹

225.25

CAS

1214-39-7

Other Names

• 124786-41-0
• 1H-Purin-6-amine, N-(phenylmethyl)-
• 3458-19-3
• 6-(Benzylamino)purine
• 6-(N-Benzylamino)purine
• 6-BA
• 6-BAP
• 6-Benzyladenine
• 9H-Purin-6-amine, N-(phenylmethyl)-
• 9H-Purine, 6-[(phenylmethyl)amino]-
• ABG 3034
• Adenine, N-benzyl-
• BA
• BA (Growth stimulator)
• BA (growth stimulant)
• BAP
• BAP (growth stimulant)
• Benzylaminopurine
• Cytokinin B
• N-(Phenylmethyl)-1H-purin-6-amine
• N-(phenylmethyl)-9H-purin-6-amine
• N-Benzyl-9H-purin-6-amine
• N-Benzyladenine
• N6-Benzyladenine
• N6-Benzylaminopurine
• NSC 40818
• Pro-Shear
• SD 4901
• SQ 4609
• Verdan senescence inhibitor
• benzyl(purin-6-yl)amine

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.60		Aq. Sol...
logPoct/wat	1.483		Crippen Calculated Property
McVol	167.160	ml/mol	McGowan Calculated Property
Inp	2527.00		NIST
Tfus	[503.15; 505.32]	K
Tfus	505.32	K	Aq. Sol...
Tfus	503.15	K	Thermod...

Similar Compounds

Find more compounds similar to Benzyladenine.

Mixtures

• Benzyladenine + Methyl Alcohol
• Benzyladenine + Ethanol
• Benzyladenine + 1-Butanol
• Benzyladenine + Acetone
• Benzyladenine + Acetonitrile
• Benzyladenine + Ethyl Acetate
• Benzyladenine + Formamide, N,N-dimethyl-
• Benzyladenine + Tetrahydrofuran
• Benzyladenine + Formamide, N,N-dimethyl- + Acetone

Sources

• Crippen Method
• Thermodynamic models for determination of solid liquid equilibrium of the 6-benzyladenine in pure and binary organic solvents
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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