| CAS Number | 1049696-27-6 |
| Catalog Number | AG01A9U9(AGN-PC-0WBO1R) |
| Chemical Name | 3-(3-Methoxyphenyl)propan-1-amine hydrochloride |
| IUPAC Name | 3-(3-methoxyphenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H15NO.ClH/c1-12-10-6-2-4-9(8-10)5-3-7-11;/h2,4,6,8H,3,5,7,11H2,1H3;1H |
| InChI Key | OTELITSVDBYVPS-UHFFFAOYSA-N |
| MDL Number | MFCD16817455 |
| Molecular Formula | C10H16ClNO |
| Molecular Weight | 201.6931 |
| SMILES | Cl.COC1=CC(CCCN)=CC=C1 |
| Synonyms | 3-(3-methoxyphenyl)propan-1-amine hydrochloride,
1049696-27-6,
AC1MHOLR,
AC1Q3C1R,
SCHEMBL1027480,
OTELITSVDBYVPS-UHFFFAOYSA-N,
AKOS030253246,
MCULE-6848117165,
NE33922,
EN300-66162,
Z1262398467,
CID3029808,
m-Methoxy-N-methylphenethylamine hydrochloride,
18655-52-2,
|
| Complexity | 116 |
| 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 | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number