| CAS Number | 1609400-44-3 |
| Catalog Number | AG00J3L3(AGN-PC-0WRAWX) |
| Chemical Name | (1,3-benzodioxol-5-ylmethyl)(4-fluorobenzyl)amine hydrobromide |
| IUPAC Name | N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)methanamine;hydrobromide |
| InChI | InChI=1S/C15H14FNO2.BrH/c16-13-4-1-11(2-5-13)8-17-9-12-3-6-14-15(7-12)19-10-18-14;/h1-7,17H,8-10H2;1H |
| InChI Key | MNWCHBODFZLVJU-UHFFFAOYSA-N |
| MDL Number | MFCD13186421 |
| Molecular Formula | C15H15BrFNO2 |
| Molecular Weight | 340.1875 |
| SMILES | C12=CC(CNCC3=CC=C(F)C=C3)=CC=C1OCO2.Br |
| Synonyms | (1,3-benzodioxol-5-ylmethyl)(4-fluorobenzyl)amine hydrobromide,
1609400-44-3,
ZX-CM015771,
MFCD13186421,
346725-54-0,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.192g/mol |
| Monoisotopic Mass | 339.027g/mol |
| Rotatable Bond Count | 4 |
| 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