| CAS Number | 1178088-18-0 |
| Catalog Number | AG01A7VV(AGN-PC-0WO7LR) |
| Chemical Name | 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-amine |
| IUPAC Name | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-amine |
| InChI | InChI=1S/C12H17NO2/c1-12(2,8-13)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7H,5-6,8,13H2,1-2H3 |
| InChI Key | SLTKFVZHYFPVML-UHFFFAOYSA-N |
| MDL Number | MFCD12774760 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | CC(C1=CC2=C(OCCO2)C=C1)(CN)C |
| Synonyms | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-amine,
1178088-18-0,
AC1Q1NLB,
CTK7E2688,
ZINC37934540,
AKOS010213486,
MCULE-1534253699,
NE32139,
EN300-59949,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number