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Bufotenin

CAT: 0013-GTR19178211Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19178211Size:5 mg
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Description
Bufotenin
CAS Number
487-93-4
Molecular Formula
C12H16N2O
Molecular Weight
204.273
Notes
For research use only.

Chemical Information

Bufotenine

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 tertiary amine and a tryptamine alkaloid. It is functionally related to a N,N-dimethyltryptamine.

CAS Number487-93-4
PubChem CID10257
IUPAC Name3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
Molecular FormulaC12H16N2O
Molecular Weight204.27
XLogP1.2
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity208
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
InChIKey
VTTONGPRPXSUTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bufotenine
CAS: 487-93-4
CID: 10257
Formula: C12H16N2O
MW: 204.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.27
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass204.126263138
Monoisotopic Mass204.126263138
Topological Polar Surface Area39.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19168943-01Bufotalin
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Alternative Products

CatalogName
AB1982Bufotenin

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