1214-39-7

Product Name: 6-Benzylaminopurine

Formula: C12H11N5

Synonyms: 6-BAP;6-Benzylaminopurine - CAS 1214-39-7 - Calbiochem;BA;Benzyladenine;N⁶-Benzyladenine

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description	Colorless solid; Technical product is off-white solid; [HSDB] White solid; Formulated as soluble concentrate/liquid; [Reference #1] Light yellow powder; [Alfa Aesar MSDS]
Color/Form	Colorless, fine needles
Melting Point	234-235 °C
Solubility	Insoluble in most common organic solvents; Soluble in dimethylformamide, dimethyl sulfoxide
Vapor Pressure	2.373X10-6 mPa (1.79X10-11 mm Hg) at 20 °C
LogP	log Kow = 1.57
Kovats Retention Index	2527
Other Experimental Properties	Off-white powder /Technical/
Chemical Classes	Pesticides -> Plant Growth Regulators

SAFETY INFORMATION

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09
GHS Hazard Statements	H302:Acute toxicity,oral H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight	225.25 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	225.10144537 g/mol
Monoisotopic Mass	225.10144537 g/mol
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

PRODUCT INTRODUCTION

description

N-benzyladenine is a member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. It has a role as a plant metabolite and a cytokinin. It is functionally related to an adenine.