| CAS Number | 1221725-76-3 |
| Catalog Number | AG01A7VU(AGN-PC-0WO0HP) |
| Chemical Name | [2-(1,3-dioxaindan-5-yl)propan-2-yl](methyl)amine |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine |
| InChI | InChI=1S/C11H15NO2/c1-11(2,12-3)8-4-5-9-10(6-8)14-7-13-9/h4-6,12H,7H2,1-3H3 |
| InChI Key | ZQOLNFHGRAXKBK-UHFFFAOYSA-N |
| MDL Number | MFCD14705844 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CNC(C1=CC2=C(OCO2)C=C1)(C)C |
| Synonyms | [2-(2H-1,3-benzodioxol-5-yl)propan-2-yl](methyl)amine,
1221725-76-3,
AC1Q40RW,
SCHEMBL546071,
ZINC39947639,
AKOS022537319,
NE15863,
EN300-59947,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number