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4-Methoxy-Tryptamine

CAT: 1596-AR-T06110-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T06110-03Size:50 Units
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CAS Number
3610-35-3
Synonyms
2- (4-methoxy-1H-indol-3-yl) ethan-1-amine
Molecular Formula
C11H14N2O
Molecular Weight
190.25
API Name
Tryptamine

Chemical Information

1H-Indole-3-ethanamine, 4-methoxy-
CAS Number3610-35-3
PubChem CID19219
IUPAC Name2-(4-methoxy-1H-indol-3-yl)ethanamine
Molecular FormulaC11H14N2O
Molecular Weight190.24
XLogP1.3
Topological Polar Surface Area51
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity186
SMILES
COC1=CC=CC2=C1C(=CN2)CCN
InChI
InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5-6,12H2,1H3
InChIKey
WMBARRJMPVVQEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Indole-3-ethanamine, 4-methoxy-
CAS: 3610-35-3
CID: 19219
Formula: C11H14N2O
MW: 190.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.24
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass190.110613074
Monoisotopic Mass190.110613074
Topological Polar Surface Area51 Ų
Heavy Atom Count14
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 Count1
Compound Is CanonicalizedYes