| CAS Number | 1257106-72-1 |
| Catalog Number | AG009G3L(AGN-PC-0WA2GP) |
| Chemical Name | (R)-1-(3,5-Dimethoxyphenyl)ethanamine hydrochloride |
| IUPAC Name | (1R)-1-(3,5-dimethoxyphenyl)ethanamine |
| InChI | InChI=1S/C10H15NO2/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-7H,11H2,1-3H3/t7-/m1/s1 |
| InChI Key | BVAAZZHQLIEDTA-SSDOTTSWSA-N |
| MDL Number | MFCD06762263 |
| Molecular Formula | C10H16ClNO2 |
| Molecular Weight | 217.6925 |
| SMILES | N[C@H](C)C1=CC(OC)=CC(OC)=C1.[H]Cl |
| Synonyms | (R)-1-(3,5-dimethoxyphenyl)ethanamine,
1241676-71-0,
1257106-72-1,
(1R)-1-(3,5-dimethoxyphenyl)ethanamine,
CTK5H9214,
ANW-44754,
MFCD06762263,
ZINC34077605,
AKOS015851965,
AS-55158,
TC-066115,
FT-0084309,
B-2085,
A845703,
I01-6072,
ACN-030735,
(R)-1-(3,5-Dimethoxyphenyl)ethanamine hydrochloride,
97294-78-5,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
|
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Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
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\N
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Certificate of Analysis
Lot Number