| CAS Number | 1609400-82-9 |
| Catalog Number | AG00J3RF |
| Chemical Name | (1,3-benzodioxol-5-ylmethyl)(4-ethylbenzyl)amine hydrobromide |
| IUPAC Name | N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide |
| InChI | InChI=1S/C17H19NO2.BrH/c1-2-13-3-5-14(6-4-13)10-18-11-15-7-8-16-17(9-15)20-12-19-16;/h3-9,18H,2,10-12H2,1H3;1H |
| InChI Key | CMVIYHVONKHTMS-UHFFFAOYSA-N |
| MDL Number | MFCD13186575 |
| Molecular Formula | C17H20BrNO2 |
| Molecular Weight | 350.2502 |
| SMILES | C12=CC(CNCC3C=CC(=CC=3)CC)=CC=C1OCO2.Br |
| Synonyms | (1,3-benzodioxol-5-ylmethyl)(4-ethylbenzyl)amine hydrobromide,
1609400-82-9,
ZX-CM016351,
MFCD13186575,
504432-21-7,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.256g/mol |
| Monoisotopic Mass | 349.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number