Bufotenine monooxalate

CAT: 0926-FB165939-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FB165939-01Size:1 g

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CAS Number

16698-26-3

Smiles

CN (C) CCc1c[nH]c2c1cc (cc2) O.C (=O) (C (=O) O) O

Molecular Formula

C14H18N2O5

Molecular Weight

294.3 g/mol

Controlled

Yes

Chemical Information

Bufotenine monooxalate

CAS Number	16698-26-3
PubChem CID	261945
IUPAC Name	3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;oxalic acid
Molecular Formula	C14H18N2O5
Molecular Weight	294.30
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	279

SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16N2O.C2H2O4/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;3-1(4)2(5)6/h3-4,7-8,13,15H,5-6H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

DYESHNNFAFXIKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16698-26-3

CID: 261945

Formula: C14H18N2O5

MW: 294.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.30
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	294.12157168
Monoisotopic Mass	294.12157168
Topological Polar Surface Area	114 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	279
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	2
Compound Is Canonicalized	Yes

Catalog	Name
B-9350-01	Bufotenine oxalate monohydrate

Catalog	Name
AR-B07955-01	Bufotenine
H08100	Hydrazine Monooxalate
162962	Bufotenine discontinued
AR-B07956-01	Bufotenine-d6
TRC-B689465-25MG	Bufotenine Hydrochloride
OR1042329-01	Mono (tetramethylammonium) monooxalate
443566-01	Bufotenine-d4 Hydrochloride
162963	Bufotenine-d4 discontinued
AR-B07958-01	Bufotenine Sulfate Sodium Salt
AR-B05676-01	Bufotenine 5-Methoxy Impurity