| CAS Number | 1923145-95-2 |
| Catalog Number | AG00J3RA |
| Chemical Name | (1,3-Benzodioxol-5-ylmethyl)(3-chlorobenzyl)amine hydrobromide |
| IUPAC Name | N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)methanamine;hydrobromide |
| InChI | InChI=1S/C15H14ClNO2.BrH/c16-13-3-1-2-11(6-13)8-17-9-12-4-5-14-15(7-12)19-10-18-14;/h1-7,17H,8-10H2;1H |
| InChI Key | LZVPZTJCUKIOEU-UHFFFAOYSA-N |
| MDL Number | MFCD13186562 |
| Molecular Formula | C15H15BrClNO2 |
| Molecular Weight | 356.6421 |
| SMILES | Clc1cccc(c1)CNCc1ccc2c(c1)OCO2.Br |
| Synonyms | (1,3-benzodioxol-5-ylmethyl)(3-chlorobenzyl)amine hydrobromide,
1923145-95-2,
ZX-CM016353,
MFCD13186562,
423736-31-6,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.644g/mol |
| Monoisotopic Mass | 354.997g/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