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23693-18-7 | 1,3-Benzodioxole-5-ethanamine, 6-methoxy-α-methyl-
CAS No: 23693-18-7 Catalog No: AG002O5T MDL No:
Product Description
Catalog Number:
AG002O5T
Chemical Name:
1,3-Benzodioxole-5-ethanamine, 6-methoxy-α-methyl-
CAS Number:
23693-18-7
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-amine
InChI:
InChI=1S/C11H15NO3/c1-7(12)3-8-4-10-11(15-6-14-10)5-9(8)13-2/h4-5,7H,3,6,12H2,1-2H3
InChI Key:
GPVJAXJRAZVITB-UHFFFAOYSA-N
SMILES:
COc1cc2OCOc2cc1CC(N)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Behavioral profiles in rats distinguish among 'ecstasy,' methamphetamine and 2,5-dimethoxy-4-iodoamphetamine: Mixed effects for 'ecstasy' analogues. | Behavioral neuroscience 20101001 |
| Simultaneous determination of 11 designated hallucinogenic phenethylamines by ultra-fast liquid chromatography with fluorescence detection. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20081001 |
| Cytochrome P450 2D6.1 and cytochrome P450 2D6.10 differ in catalytic activity for multiple substrates. | Pharmacogenetics 20010801 |
| Interactions of amphetamine analogs with human liver CYP2D6. | Biochemical pharmacology 19970601 |
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