| CAS Number | 74027-60-4 |
| Catalog Number | AG00FDH2(AGN-PC-0MYUBR) |
| Chemical Name | 1-Amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol |
| IUPAC Name | 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol |
| InChI | InChI=1S/C12H19NO3/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,14H,6-9,13H2,1H3 |
| InChI Key | XJWXVDJGNOHFLR-UHFFFAOYSA-N |
| MDL Number | MFCD11647829 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| SMILES | COCCC1=CC=C(C=C1)OCC(CN)O |
| Synonyms | 74027-60-4,
1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,
N-Desisopropyl Metoprolol,
1-Amino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol,
1-amino-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol,
N-Desisopropylmetoprolol,
SCHEMBL11093561,
DTXSID30435689,
FT-0666046,
H 98/52,
N-Desisopropylmetoprolol (1-Amino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol),
CID10105079,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.288g/mol |
| Monoisotopic Mass | 225.136g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number