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2,3,4-Trimethoxyamphetamine hydrochloride

CAT: 0926-GAA01077-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-GAA01077-01Size:25 mg
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CAS Number
6010-77-1
Smiles
CC (CC1=C (C (=C (C=C1) OC) OC) OC) N.Cl
Molecular Formula
C12H20ClNO3
Molecular Weight
261.74 g/mol
Controlled
Yes

Chemical Information

1-(2,3,4-Trimethoxyphenyl)propan-2-amine;hydrochloride
CAS Number6010-77-1
PubChem CID12626556
IUPAC Name1-(2,3,4-trimethoxyphenyl)propan-2-amine;hydrochloride
Molecular FormulaC12H20ClNO3
Molecular Weight261.74
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity201
SMILES
CC(CC1=C(C(=C(C=C1)OC)OC)OC)N.Cl
InChI
InChI=1S/C12H19NO3.ClH/c1-8(13)7-9-5-6-10(14-2)12(16-4)11(9)15-3;/h5-6,8H,7,13H2,1-4H3;1H
InChIKey
MUJDZRKZVGCGLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3,4-Trimethoxyphenyl)propan-2-amine;hydrochloride
CAS: 6010-77-1
CID: 12626556
Formula: C12H20ClNO3
MW: 261.74
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight261.74
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass261.1131712
Monoisotopic Mass261.1131712
Topological Polar Surface Area53.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes