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5-Methoxytryptamine Hydrochloride

CAT: 0024-sc-210362ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-210362ASize:1 g
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CAS Number
66-83-1

Chemical Information

1H-Indole-3-ethanamine, 5-methoxy-, hydrochloride (1:?)
CAS Number66-83-1
PubChem CID6198
IUPAC Name2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
Molecular FormulaC11H15ClN2O
Molecular Weight226.70
Topological Polar Surface Area51
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity186
SMILES
COC1=CC2=C(C=C1)NC=C2CCN.Cl
InChI
InChI=1S/C11H14N2O.ClH/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H
InChIKey
TXVAYRSEKRMEIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Indole-3-ethanamine, 5-methoxy-, hydrochloride (1:?)
CAS: 66-83-1
CID: 6198
Formula: C11H15ClN2O
MW: 226.70
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.70
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass226.0872908
Monoisotopic Mass226.0872908
Topological Polar Surface Area51 Ų
Heavy Atom Count15
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes