| CAS Number | 1181746-78-0 |
| Catalog Number | AG01BD38 |
| Chemical Name | 2-(benzylamino)-1-(4-ethylphenyl)ethan-1-ol |
| IUPAC Name | 2-(benzylamino)-1-(4-ethylphenyl)ethanol |
| InChI | InChI=1S/C17H21NO/c1-2-14-8-10-16(11-9-14)17(19)13-18-12-15-6-4-3-5-7-15/h3-11,17-19H,2,12-13H2,1H3 |
| InChI Key | LQSOEPAYZCMLMT-UHFFFAOYSA-N |
| MDL Number | MFCD11923291 |
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.3547 |
| SMILES | CCC1=CC=C(C(CNCC2=CC=CC=C2)O)C=C1 |
| Synonyms | 2-(benzylamino)-1-(4-ethylphenyl)ethan-1-ol,
1181746-78-0,
AKOS029465751,
MCULE-1698564489,
Z1020686130,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.361g/mol |
| Monoisotopic Mass | 255.162g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number