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2,5-Dimethoxy-4-nitrophenethylamine

CAT: 0926-LKA78900-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-LKA78900-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
261789-00-8
Smiles
COC1=CC (=C (C=C1CCN) OC) [N+] (=O) [O-]
Molecular Formula
C10H14N2O4
Molecular Weight
226.23 g/mol
Controlled
Yes

Chemical Information

2,5-Dimethoxy-4-nitrophenethylamine

2-(2,5-Dimethoxy-4-nitro-phenyl)ethanamine is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Hallucinogenic substances substance.

CAS Number261789-00-8
PubChem CID10036637
IUPAC Name2-(2,5-dimethoxy-4-nitrophenyl)ethanamine
Molecular FormulaC10H14N2O4
Molecular Weight226.23
XLogP1.3
Topological Polar Surface Area90.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity231
SMILES
COC1=CC(=C(C=C1CCN)OC)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O4/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11/h5-6H,3-4,11H2,1-2H3
InChIKey
ZMUSDZGRRJGRAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethoxy-4-nitrophenethylamine
CAS: 261789-00-8
CID: 10036637
Formula: C10H14N2O4
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass226.09535693
Monoisotopic Mass226.09535693
Topological Polar Surface Area90.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity231
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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