| CAS Number | 23131-47-7 |
| Catalog Number | AG01A7VS(AGN-PC-0QZJRM) |
| Chemical Name | 2-(1,3-Dioxaindan-5-yl)-2-methylpropan-1-amine |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine |
| InChI | InChI=1S/C11H15NO2/c1-11(2,6-12)8-3-4-9-10(5-8)14-7-13-9/h3-5H,6-7,12H2,1-2H3 |
| InChI Key | CGZCCWRCOLWZKV-UHFFFAOYSA-N |
| MDL Number | MFCD12774756 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CC(C1=CC2=C(OCO2)C=C1)(CN)C |
| Synonyms | 2-(2H-1,3-benzodioxol-5-yl)-2-methylpropan-1-amine,
23131-47-7,
AC1Q1NLC,
SCHEMBL7407895,
CTK7E2689,
ZINC37934528,
AKOS010215165,
MCULE-9780289440,
NE38551,
EN300-59945,
|
| 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 | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number