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MMDA Hydrochloride

CAT: 0572-TRC-M262965-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M262965-5MGSize:5 mg
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CAS Number
60676-84-8
Synonyms
7-Methoxy-a-methyl-1,3-benzodioxole-5-ethanamine Monohydrochloride; 3-Methoxy-MDA Hydrochloride
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
NC(C)CC1=CC(OCO2)=C2C(OC)=C1.Cl
Molecular Formula
C11 H15 N O3 . HCl
Molecular Weight
245.71
InChI
InChI=1S/C11H15NO3.ClH/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11;/h4-5,7H,3,6,12H2,1-2H3;1H
Additionnal Information
IUPAC name: 1-(7-methoxybenzo[d][1,3]dioxol-5-yl)propan-2-amine hydrochloride

Chemical Information

1,3-Benzodioxole-5-ethanamine, 7-methoxy-alpha-methyl-, hydrochloride (1:1)
CAS Number60676-84-8
PubChem CID118031
IUPAC Name1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine;hydrochloride
Molecular FormulaC11H16ClNO3
Molecular Weight245.70
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity212
SMILES
CC(CC1=CC2=C(C(=C1)OC)OCO2)N.Cl
InChI
InChI=1S/C11H15NO3.ClH/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11;/h4-5,7H,3,6,12H2,1-2H3;1H
InChIKey
HULCPMREEFWFRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Benzodioxole-5-ethanamine, 7-methoxy-alpha-methyl-, hydrochloride (1:1)
CAS: 60676-84-8
CID: 118031
Formula: C11H16ClNO3
MW: 245.70
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass245.0818711
Monoisotopic Mass245.0818711
Topological Polar Surface Area53.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity212
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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