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2D Structure
Also known as: 1219794-60-1, T8urv4w5aw, Refchem:1089749, 3,4-mdma-d3 (hydrochloride), D,l-mdma-d3 hydrochloride, Unii-t8urv4w5aw
Molecular Formula
C11H16ClNO2
Molecular Weight
232.72  g/mol
InChI Key
LUWHVONVCYWRMZ-MUTAZJQDSA-N
FDA UNII
T8URV4W5AW

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(1,3-benzodioxol-5-yl)-N-(trideuteriomethyl)propan-2-amine;hydrochloride
2.1.2 InChI
InChI=1S/C11H15NO2.ClH/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10;/h3-4,6,8,12H,5,7H2,1-2H3;1H/i2D3;
2.1.3 InChI Key
LUWHVONVCYWRMZ-MUTAZJQDSA-N
2.2 Other Identifiers
2.2.1 UNII
T8URV4W5AW
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1219794-60-1

2. T8urv4w5aw

3. Refchem:1089749

4. 3,4-mdma-d3 (hydrochloride)

5. D,l-mdma-d3 Hydrochloride

6. Unii-t8urv4w5aw

7. 1-(1,3-benzodioxol-5-yl)-n-(trideuteriomethyl)propan-2-amine;hydrochloride

8. 1-(1,3-benzodioxol-5-yl)-n-(trideuteriomethyl)propan-2-amine Hydrochloride

9. (5alpha)-4,5-epoxy-3-hydroxy-17-(methyl-d3)morphinan-6-one-15,15,16-d3

10. D,l-mdma-d3.hcl

11. Mdma-d3 Hydrochloride (>90%)

12. 3,4-methylenedioxymethylamphetamine-d3

13. Pd017446

14. 3,4-methylenedioxy-n-methyl-d3-amphetamine Hcl

15. Mdma-d3 Hydrochloride (1 Mg/ml In Acetonitrile)

16. Mdma-d3 Hydrochloride (1.0mg/ml In Acetonitrile)

17. D,l-mdma-d3.hcl, 1mg/ml In Methanol (as Free Base)

18. D,l-mdma-d3.hcl, 0.1mg/ml In Methanol (as Free Base)

19. (5.alpha.)-4,5-epoxy-3-hydroxy-17-(methyl-d3)morphinan-6-one-15,15,16-d3

20. N,?-dimethyl-1,3-benzodioxole-5-ethanamine-d3 Hydrochloride; 3,4-methylenedioxymethylamphetamine-d3 Hydrochloride; Ecstasy-d3 Hydrochloride; Nsc 168383-d3; 3,4-methylenedioxy Methamphetamine-d3 Hydrochloride

2.4 Create Date
2013-11-01
3 Chemical and Physical Properties
Molecular Weight 232.72 g/mol
Molecular Formula C11H16ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area30.5
Heavy Atom Count15
Formal Charge0
Complexity186
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2