5-Methoxy-N, N-dimethyltryptamine hydrobromide

CAT: 0926-M-4669-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-M-4669-01Size:0.1 g

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CAS Number

2761182-82-3

Synonyms

5-Meo-DMT HBr

Smiles

[Br-].COc1ccc2[NH2+]C=C (CCN (C) C) c2c1

Molecular Formula

C13H19BrN2O

Molecular Weight

299.21 g/mol

Controlled

Yes

Chemical Information

5-Meo-DMT HBr

CAS Number	2761182-82-3
PubChem CID	172641702
IUPAC Name	2-(5-methoxy-1H-indol-1-ium-3-yl)-N,N-dimethylethanamine bromide
Molecular Formula	C13H19BrN2O
Molecular Weight	299.21
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	263

SMILES

CN(C)CCC1=C[NH2+]C2=C1C=C(C=C2)OC.[Br-]

InChI

InChI=1S/C13H18N2O.BrH/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13;/h4-5,8-9,14H,6-7H2,1-3H3;1H

InChIKey

BRVIXPHZPNXAOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2761182-82-3

CID: 172641702

Formula: C13H19BrN2O

MW: 299.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.21
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	298.06808
Monoisotopic Mass	298.06808
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	263
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
D-5380-01	5-Methoxy-N, N-dimethyltryptamine
M-4668-01	5-Methoxy-N, N-dimethyltryptamine hydrochloride
H-9800	4-Hydroxy-5-methoxy-N, N-dimethyltryptamine
JNA98108-01	5-Hydroxymethyl-N, N-dimethyltryptamine
Q-102405-01	5-Hydroxy-N, N-dimethyltryptamine
D-5510-01	N, N-Dimethyltryptamine fumarate
EAA38250	N, N-Dimethyltryptamine oxalate
D-5500-01	N, N-Dimethyltryptamine, free base
FAA10211-01	5-Methylthio-dimethyltryptamine
FA172521-01	4-Acetoxy-N, N-dimethyltryptamine fumarate

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