| CAS Number | 1246819-01-1 |
| Catalog Number | AG009EYP(AGN-PC-0WBMDA) |
| Chemical Name | 1-(9H-Carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl](1-methylethyl)amino]-2-propanol |
| IUPAC Name | 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-2-ol |
| InChI | InChI=1S/C27H32N2O4/c1-19(2)29(15-16-32-25-13-7-6-12-24(25)31-3)17-20(30)18-33-26-14-8-11-23-27(26)21-9-4-5-10-22(21)28-23/h4-14,19-20,28,30H,15-18H2,1-3H3 |
| InChI Key | LQUBFKUWSKDUMH-UHFFFAOYSA-N |
| MDL Number | MFCD31562595 |
| Molecular Formula | C27H32N2O4 |
| Molecular Weight | 448.5540 |
| SMILES | OC(COC1=CC=CC=2NC=3C=CC=CC3C12)CN(CCOC=4C=CC=CC4OC)C(C)C |
| Synonyms | N-Isopropyl Carvedilol,
1246819-01-1,
SCHEMBL13204418,
DTXSID20732013,
J-005138,
[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl][2-(2-methoxyphenoxy)ethyl](propan-2-yl)amine,
1-(9H-Carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl](1-methylethyl)amino]-2-propanol,
1-[(9H-Carbazol-4-yl)oxy]-3-{[2-(2-methoxyphenoxy)ethyl](propan-2-yl)amino}propan-2-ol,
|
| Complexity | 576 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 448.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 448.563g/mol |
| Monoisotopic Mass | 448.236g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number