| CAS Number | 906528-67-4 |
| Catalog Number | AG01BHM2 |
| Chemical Name | (1S)-1-(3,4-Dimethoxyphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | (1S)-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C10H15NO2.ClH/c1-7(11)8-4-5-9(12-2)10(6-8)13-3;/h4-7H,11H2,1-3H3;1H/t7-;/m0./s1 |
| InChI Key | PQHFDOBOSKIMTO-FJXQXJEOSA-N |
| MDL Number | MFCD24422996 |
| Molecular Formula | C10H16ClNO2 |
| Molecular Weight | 217.6925 |
| NSC Number | 656571 |
| SMILES | C[C@@H](C1=CC=C(OC)C(OC)=C1)N.[H]Cl |
| Synonyms | 906528-67-4,
(1S)-1-(3,4-dimethoxyphenyl)ethan-1-amine hydrochloride,
NSC656571,
AC1Q3DLA,
AC1L8C92,
CTK6J6988,
NSC-656571,
(1S)-1-(3,4-dimethoxyphenyl)ethanamine hydrochloride,
(1S)-1-(3,4-dimethoxyphenyl)ethanamine hydrochloride (1:1),
(1s)-1-(3,4-dimethoxyphenyl)ethanamine hydrochloride(1:1),
CID376090,
(S)-1-(3,4-Dimethoxyphenyl)ethylamine hydrochloride,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.693g/mol |
| Monoisotopic Mass | 217.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number