| CAS Number | 1269052-82-5 |
| Catalog Number | AG00J3CS |
| Chemical Name | 1-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)ethanamine oxalate |
| IUPAC Name | 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine;oxalic acid |
| InChI | InChI=1S/C10H13NO2.C2H2O4/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10;3-1(4)2(5)6/h2-5,7,10H,6,11H2,1H3;(H,3,4)(H,5,6) |
| InChI Key | VMLWAAALRXTOLN-UHFFFAOYSA-N |
| MDL Number | MFCD13194029 |
| Molecular Formula | C12H15NO6 |
| Molecular Weight | 269.2506 |
| SMILES | O1C2=CC=CC=C2OCC1C(N)C.C(O)(=O)C(O)=O |
| Synonyms | 1269052-82-5,
[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]amine oxalate,
1-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)ethanamine oxalate,
ZX-CM014410,
MFCD13194029,
AKOS027426292,
MCULE-9335587750,
4101846-25G,
4101846-50G,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.253g/mol |
| Monoisotopic Mass | 269.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number