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487-93-4

487-93-4 structural image
Product Name: Bufotenine
Formula: C12H16N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 146.5 °C
Kovats Retention Index 2030 2030

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 204.27 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 204.126263138 g/mol
Monoisotopic Mass 204.126263138 g/mol
Topological Polar Surface Area 39.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 208
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

Bufotenin is a tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5. It has a role as a hallucinogen and a coral metabolite. It is a tryptamine alkaloid and a tertiary amine. It is functionally related to a N,N-dimethyltryptamine.