| CAS Number | 104174-57-4 |
| Catalog Number | AG00J21P(AGN-PC-0OSZZE) |
| Chemical Name | [1-(3,4-Dimethoxyphenyl)propyl]amine hydrochloride |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H17NO2.ClH/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3;/h5-7,9H,4,12H2,1-3H3;1H |
| InChI Key | SEUUTSPOQSQOPW-UHFFFAOYSA-N |
| MDL Number | MFCD18483503 |
| Molecular Formula | C11H18ClNO2 |
| Molecular Weight | 231.7191 |
| SMILES | Cl.COC=1C=C(C=CC1OC)C(CC)N |
| Synonyms | [1-(3,4-dimethoxyphenyl)propyl]amine hydrochloride,
104174-57-4,
SCHEMBL5117534,
ZX-CM007614,
MFCD18483503,
MCULE-3208625329,
EN300-208591,
(R)-1-(3,4-Dimethoxyphenyl)propan-1-amine hydrochloride,
1-(3,4-DIMETHOXYPHENYL)-1-PROPANAMINE HYDROCHLORIDE,
(1R)-1-(3,4-DIMETHOXYPHENYL)PROPAN-1-AMINE HYDROCHLORIDE,
N/A,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.72g/mol |
| Monoisotopic Mass | 231.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number