| CAS Number | 1019395-25-5 |
| Catalog Number | AG019V3C |
| Chemical Name | 3-[(2H-1,3-Benzodioxol-5-yloxy)methyl]aniline |
| IUPAC Name | 3-(1,3-benzodioxol-5-yloxymethyl)aniline |
| InChI | InChI=1S/C14H13NO3/c15-11-3-1-2-10(6-11)8-16-12-4-5-13-14(7-12)18-9-17-13/h1-7H,8-9,15H2 |
| InChI Key | PCCAGMYSYCHRJO-UHFFFAOYSA-N |
| MDL Number | MFCD11131653 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | O1COC2=C1C=CC(=C2)OCC=2C=C(N)C=CC2 |
| Synonyms | 3-[(2H-1,3-benzodioxol-5-yloxy)methyl]aniline,
1019395-25-5,
AC1Q51NX,
CTK7D9007,
ZINC19843539,
AKOS000211026,
MCULE-2513050078,
NE33701,
EN300-43606,
AB00999438-01,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number