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3,4-Dimethoxyphenethylamine

CAT: 0931-T9326-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T9326-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120-20-7
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.995
Bioactivity
3,4-Dimethoxyphenethylamine is a human endogenous metabolite.
Smiles
COC1=C(OC)C=C(CCN)C=C1
Molecular Formula
C10H15NO2
Molecular Weight
181.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Homoveratrylamine

3,4-dimethoxyphenylethylamine is an aromatic ether that is the derivative of 2-phenylethylamine with methoxy substituents at the 3- and 4-positions. It is an alkaloid isolated from the Cactaceae family. It has a role as an allergen and a plant metabolite. It is an alkaloid, an aromatic ether and a phenylethylamine. It derives from a hydride of a 2-phenylethylamine.

CAS Number120-20-7
PubChem CID8421
IUPAC Name2-(3,4-dimethoxyphenyl)ethanamine
Molecular FormulaC10H15NO2
Molecular Weight181.23
XLogP0.8
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity141
SMILES
COC1=C(C=C(C=C1)CCN)OC
InChI
InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
InChIKey
ANOUKFYBOAKOIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homoveratrylamine
CAS: 120-20-7
CID: 8421
Formula: C10H15NO2
MW: 181.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.23
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass181.110278721
Monoisotopic Mass181.110278721
Topological Polar Surface Area44.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity141
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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MBS57862403,4-Dimethoxyphenethylamine
397914353,4-Dimethoxyphenethylamine (Homoveratrylamine)
sc-2308382,3-Dimethoxyphenethylamine
FC76171-012-Chloro-3,4-dimethoxyphenethylamine HCl
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