α-Methyl-1, 3-benzodioxole- 5- propanamide - CAS 858215-05-1
Catalog: |
BB059941 |
Product Name: |
α-Methyl-1, 3-benzodioxole- 5- propanamide |
CAS: |
858215-05-1 |
Synonyms: |
α-Methyl-3,4-methylenedioxy-hydrocinnamamide |
IUPAC Name: | 3-(1,3-benzodioxol-5-yl)-2-methylpropanamide |
Description: | α-Methyl-1, 3-benzodioxole- 5- propanamide is used in the synthesis of 3, 4- methylenedioxyamphetamine. |
Molecular Weight: | 207.23 |
Molecular Formula: | C11H13NO3 |
Canonical SMILES: | CC(CC1=CC2=C(C=C1)OCO2)C(=O)N |
InChI: | InChI=1S/C11H13NO3/c1-7(11(12)13)4-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3,(H2,12,13) |
InChI Key: | WJHISTBMGKCBDJ-UHFFFAOYSA-N |
References: | Dal Cason, T., et al. Forensic Sci. Int., 223, 279 (2012). |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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