Benzyladenine

Details:

1. Introduction of Benzyladenine

The Benzyladenine, with its CAS NO 1214-39-7, is a kind of White crystal powder. It has synonyms of 6-Benzylamino Purine;6-Benzylaminopurine ( 6-BA);Benzylaminopurine;6-Benzylaminopurine (6BA);6-Benzyl Adenine(6-Benzyl Aminopurine);6-Benzylaminopurine;BA;6-Benzylaminopurine ;6-Benzylamino purine (6-BA);6--Benzyl Aminopurine;N-benzyl-7H-purin-6-amine;Paturyl;N-Benzyl-9H-purin-6-amine;N-(Phenylmethyl)-1H-purin-6-amine BA (growth stimulator). Benzyladenine should be stored in shady cool warehouse.
 

2. Properties of Benzyladenine

(1) ACD/LogP: 2.164  (2) # of Rule of 5   (3) ACD/LogD (pH 5.5): 2.15

(4) ACD/BCF (pH 5.5): 25.36  (5) ACD/BCF (pH 7.4): 25.92  (6) ACD/LogD (pH 7.4): 2.16
(7) ACD/KOC (pH 5.5): 349.77   (8) ACD/KOC (pH 7.4): 357.43
(9) #H bond acceptors: 5   (10) #H bond donors: 2
(11) #Freely Rotating Bonds: 2   (12) Polar Surface Area: 66.49  2
(13) Index of Refraction: 1.766   (14) Molar Refractivity: 66.899 cm3
(15) Molar Volume: 161.701 cm3   (16) Polarizability: 26.521 10-24cm3
(17) Surface Tension: 80.3919982910156 dyne/cm   (18) Density: 1.393 g/cm3
(19) Flash Point: 273.964 °C   (20) Enthalpy of Vaporization: 80.442 kJ/mol
(21) Boiling Point: 529.388 °C at 760 mmHg
 

3. Structure descriptors of Benzyladenine

IUPAC Name: N-benzyl-7H-purin-6-amine

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)

InChIKey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N

Canonical SMILES : C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
 

4.Toxicity data of Benzyladenine