| CAS Number | 91578-93-7 |
| Catalog Number | AG01A0IC(AGN-PC-0VT8W0) |
| Chemical Name | 2-(benzylamino)-1-(3-methoxyphenyl)ethan-1-ol |
| IUPAC Name | 2-(benzylamino)-1-(3-methoxyphenyl)ethanol |
| InChI | InChI=1S/C16H19NO2/c1-19-15-9-5-8-14(10-15)16(18)12-17-11-13-6-3-2-4-7-13/h2-10,16-18H,11-12H2,1H3 |
| InChI Key | MJTYNPILNLIVAJ-UHFFFAOYSA-N |
| MDL Number | MFCD11923842 |
| Molecular Formula | C16H19NO2 |
| Molecular Weight | 257.3276 |
| SMILES | COC1=CC(C(CNCC2=CC=CC=C2)O)=CC=C1 |
| Synonyms | 2-(benzylamino)-1-(3-methoxyphenyl)ethan-1-ol,
91578-93-7,
SCHEMBL10874366,
MJTYNPILNLIVAJ-UHFFFAOYSA-N,
AKOS017324809,
MCULE-4725238395,
NE23125,
2-(benzylamino)-1-(3-methoxyphenyl)ethanol,
2-Benzylamino-1-(3-methoxy-phenyl)-ethanol,
Z1020686228,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.333g/mol |
| Monoisotopic Mass | 257.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number