| CAS Number | 1170217-91-0 |
| Catalog Number | AG019MVC |
| Chemical Name | 1-(2H-1,3-Benzodioxol-5-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H11NO2.ClH/c1-6(10)7-2-3-8-9(4-7)12-5-11-8;/h2-4,6H,5,10H2,1H3;1H |
| InChI Key | KGOBQBDZUNCOGL-UHFFFAOYSA-N |
| MDL Number | MFCD11099548 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | CC(C1=CC2=C(C=C1)OCO2)N.Cl |
| Synonyms | 1-(2H-1,3-benzodioxol-5-yl)ethan-1-amine hydrochloride,
1170217-91-0,
1-(1,3-benzodioxol-5-yl)ethanamine hydrochloride,
AC1Q398A,
CTK6A5428,
NE29552,
EN300-37402,
(R)-1-(BENZO[D][1,3]DIOXOL-5-YL)ETHAN-1-AMINE HCL,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/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