| CAS Number | 1049788-24-0 |
| Catalog Number | AG00J3IT |
| Chemical Name | N-(3,4-Dimethoxybenzyl)-2-propanamine hydrochloride |
| IUPAC Name | N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine;hydrochloride |
| InChI | InChI=1S/C12H19NO2.ClH/c1-9(2)13-8-10-5-6-11(14-3)12(7-10)15-4;/h5-7,9,13H,8H2,1-4H3;1H |
| InChI Key | KFWODOUZBAWFIU-UHFFFAOYSA-N |
| MDL Number | MFCD05982316 |
| Molecular Formula | C12H20ClNO2 |
| Molecular Weight | 245.7457 |
| SMILES | C1(OC)=CC(=CC=C1OC)CNC(C)C.Cl |
| Synonyms | N-(3,4-Dimethoxybenzyl)-2-propanamine hydrochloride,
1049788-24-0,
AC1ME726,
N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine Hydrochloride,
ZX-CM015641,
MFCD05982316,
AKOS027425995,
MCULE-6343240294,
N-(3,4-Dimethoxybenzyl)propan-2-amine hydrochloride,
CID2849805,
101825-11-0,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.747g/mol |
| Monoisotopic Mass | 245.118g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number