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4-Hydroxy-3-methoxy Amphetamine Hydrochloride

CAT: 0572-TRC-H945980-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H945980-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13062-61-8
Synonyms
Phenol, 4-(2-aminopropyl)-2-methoxy-, hydrochloride (1:1); Phenol, 4-(2-aminopropyl)-2-methoxy-, hydrochloride (7CI,8CI,9CI); (+-)-3-O-Methyl-α-methyldopamine hydrochloride; NSC 172191; 4-Hydroxy-3-methoxy Amphetamine hydrochloride; 4-Hydroxy-3-methoxyamphetamine hydrochloride
Hazard Statement
Harmful if swallowed
Smiles
Cl.COc1cc(CC(C)N)ccc1O
Molecular Formula
C10 H15 N O2 . HCl
Molecular Weight
217.692
InChI
InChI=1S/C10H15NO2.ClH/c1-7(11)5-8-3-4-9(12)10(6-8)13-2;/h3-4,6-7,12H,5,11H2,1-2H3;1H
Additionnal Information
IUPAC name: 4-(2-aminopropyl)-2-methoxyphenol;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

4-(2-Aminopropyl)-2-methoxyphenol hydrochloride
CAS Number13062-61-8
PubChem CID12611603
IUPAC Name4-(2-aminopropyl)-2-methoxyphenol;hydrochloride
Molecular FormulaC10H16ClNO2
Molecular Weight217.69
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity152
SMILES
CC(CC1=CC(=C(C=C1)O)OC)N.Cl
InChI
InChI=1S/C10H15NO2.ClH/c1-7(11)5-8-3-4-9(12)10(6-8)13-2;/h3-4,6-7,12H,5,11H2,1-2H3;1H
InChIKey
NHLXZOOGQNYXLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Aminopropyl)-2-methoxyphenol hydrochloride
CAS: 13062-61-8
CID: 12611603
Formula: C10H16ClNO2
MW: 217.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.69
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass217.0869564
Monoisotopic Mass217.0869564
Topological Polar Surface Area55.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity152
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

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