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61-50-7

61-50-7 structural image
Product Name: N,N-Dimethyltryptamine
Formula: C12H16N2
Synonyms: Dimethyltryptamine;DMT;N,N-Dimethyl-1H-indole-3-ethanamine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Crystals ... also reported as plates from ethanol and light petroleum
Boiling Point 60-80 °C
Melting Point 46 °C
Solubility Freely soluble in dilute acetic and dilute mineral acids
Decomposition When heated to decomposition if emits toxic fumes of /nitrogen oxides/.
Dissociation Constants 8.68
Collision Cross Section 143.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 1750 1764.1 1745 1750

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H336:Specific target organ toxicity,single exposure; Narcotic effects
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 188.27 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 188.131348519 g/mol
Monoisotopic Mass 188.131348519 g/mol
Topological Polar Surface Area 19 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 179
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,N-dimethyltryptamine is a tryptamine derivative having two N-methyl substituents on the side-chain. It is a tryptamine alkaloid and a member of tryptamines. It is functionally related to a tryptamine. It is a conjugate base of a N,N-dimethyltryptaminium.