| CAS Number | 1642301-09-4 |
| Catalog Number | AG01DJ3C |
| Chemical Name | (S)-1-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride |
| IUPAC Name | (1S)-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/t6-;/m0./s1 |
| InChI Key | KGOBQBDZUNCOGL-RGMNGODLSA-N |
| MDL Number | MFCD24432873 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | Cl.O1COC2=C1C=CC(=C2)[C@H](C)N |
| Synonyms | SCHEMBL17476761,
(S)-1-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride,
1642301-09-4,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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