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5-Benzyloxytryptamine

CAT: 0024-sc-284539ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-284539ASize:1 g
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CAS Number
20776-45-8

Chemical Information

5-(Benzyloxy)tryptamine
CAS Number20776-45-8
PubChem CID89576
IUPAC Name2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine
Molecular FormulaC17H18N2O
Molecular Weight266.34
XLogP2
Topological Polar Surface Area51
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity291
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN
InChI
InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
InChIKey
WKPDXBXNJWWWGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Benzyloxy)tryptamine
CAS: 20776-45-8
CID: 89576
Formula: C17H18N2O
MW: 266.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.34
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass266.141913202
Monoisotopic Mass266.141913202
Topological Polar Surface Area51 Ų
Heavy Atom Count20
Formal Charge0
Complexity291
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

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