1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol
1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid
Also Known As: 1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol|1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol; 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid|1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid|4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid--1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethan-1-ol (1/1)
| Molecular Formula | C36H50BrNO5S |
|---|---|
| Molecular Weight | 687.25934 g/mol |
| LogP | 8.7393 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 687.25934 |
| Monoisotopic Mass | 687.25934 |
| Heavy Atoms | 44 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 7770-23-2 |
|---|---|
| SMILES | CCCCCN(CCCCC)CC(C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br)O.CC1(C2CCC1(C(=O)C2S(=O)(=O)O)C)C |
| InChIKey | JUTVGQLRNONHGK-UHFFFAOYSA-N |
Product Overview
1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol (CAS 7770-23-2), with molecular formula C36H50BrNO5S and molecular weight 687.25934 g/mol. IUPAC: 1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid.