| CAS Number | 1989824-37-4 |
| Catalog Number | AG00J3JB |
| Chemical Name | (1,3-benzodioxol-5-ylmethyl)(2-nitrobenzyl)amine hydrobromide |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)-N-[(2-nitrophenyl)methyl]methanamine;hydrobromide |
| InChI | InChI=1S/C15H14N2O4.BrH/c18-17(19)13-4-2-1-3-12(13)9-16-8-11-5-6-14-15(7-11)21-10-20-14;/h1-7,16H,8-10H2;1H |
| InChI Key | UUVRQACWSLJLCW-UHFFFAOYSA-N |
| MDL Number | MFCD13186371 |
| Molecular Formula | C15H15BrN2O4 |
| Molecular Weight | 367.1946 |
| SMILES | [N+](=O)([O-])C1=CC=CC=C1CNCC1=CC=C2C(OCO2)=C1.Br |
| Synonyms | (1,3-benzodioxol-5-ylmethyl)(2-nitrobenzyl)amine hydrobromide,
1989824-37-4,
ZX-CM015625,
MFCD13186371,
416888-55-6,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.199g/mol |
| Monoisotopic Mass | 366.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number