| CAS Number | 80662-80-2 |
| Catalog Number | AG019EUC(AGN-PC-0WG4AT) |
| Chemical Name | 3-[Benzyl-(2-hydroxy-propyl)-amino]-propan-1-ol |
| IUPAC Name | 1-[benzyl(3-hydroxypropyl)amino]propan-2-ol |
| InChI | InChI=1S/C13H21NO2/c1-12(16)10-14(8-5-9-15)11-13-6-3-2-4-7-13/h2-4,6-7,12,15-16H,5,8-11H2,1H3 |
| InChI Key | ZKLLAWPNFHRHKM-UHFFFAOYSA-N |
| MDL Number | MFCD30185874 |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.3113 |
| SMILES | OCCCN(Cc1ccccc1)CC(O)C |
| Synonyms | 80662-80-2,
3-[BENZYL-(2-HYDROXY-PROPYL)-AMINO]-PROPAN-1-OL,
3-(Benzyl(2-hydroxypropyl)amino)propan-1-ol,
MFCD30185874,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.316g/mol |
| Monoisotopic Mass | 223.157g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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