| CAS Number | 104338-21-8 |
| Catalog Number | AG00J2HZ(AGN-PC-0OT7SI) |
| Chemical Name | 1-(4-Methoxy-3-methylphenyl)ethanamine hydrochloride |
| IUPAC Name | 1-(4-methoxy-3-methylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C10H15NO.ClH/c1-7-6-9(8(2)11)4-5-10(7)12-3;/h4-6,8H,11H2,1-3H3;1H |
| InChI Key | CHMPFGWJXVRYEI-UHFFFAOYSA-N |
| MDL Number | MFCD28024726 |
| Molecular Formula | C10H16ClNO |
| Molecular Weight | 201.6931 |
| SMILES | Cl.COC1=C(C=C(C=C1)C(C)N)C |
| Synonyms | 104338-21-8,
1-(4-Methoxy-3-methylphenyl)ethanamine hydrochloride,
[1-(4-methoxy-3-methylphenyl)ethyl]amine hydrochloride,
SCHEMBL5109952,
ZX-CM009722,
MFCD28024726,
AKOS027426002,
104338-23-0,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.694g/mol |
| Monoisotopic Mass | 201.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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