| CAS Number | 1193388-69-0 |
| Catalog Number | AG019VXM(AGN-PC-0WOVUD) |
| Chemical Name | 1-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C10H12BrNO2.ClH/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9;/h4-6H,2-3,12H2,1H3;1H |
| InChI Key | VYIUDZLVVLWZEY-UHFFFAOYSA-N |
| MDL Number | MFCD12197382 |
| Molecular Formula | C10H13BrClNO2 |
| Molecular Weight | 294.5727 |
| SMILES | Cl.CC(C1=C(Br)C=C2C(OCCO2)=C1)N |
| Synonyms | 1-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-amine hydrochloride,
1193388-69-0,
AC1Q397A,
CTK6A4752,
AKOS026744774,
MCULE-2368692284,
NE39904,
EN300-49794,
Z600397720,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.573g/mol |
| Monoisotopic Mass | 292.982g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number