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3-Methoxytyramine hydrochloride

CAT: 0063-90032512-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0063-90032512-01Size:100 mg
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CAS Number
1477-68-5

Chemical Information

3-Methoxy-4-hydroxyphenylethylamine hydrochloride
CAS Number1477-68-5
PubChem CID11957621
IUPAC Name4-(2-aminoethyl)-2-methoxyphenol;hydrochloride
Molecular FormulaC9H14ClNO2
Molecular Weight203.66
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity130
SMILES
COC1=C(C=CC(=C1)CCN)O.Cl
InChI
InChI=1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H
InChIKey
AWRIOTVUTPLWLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-4-hydroxyphenylethylamine hydrochloride
CAS: 1477-68-5
CID: 11957621
Formula: C9H14ClNO2
MW: 203.66
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight203.66
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass203.0713064
Monoisotopic Mass203.0713064
Topological Polar Surface Area55.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes