| CAS Number | 375799-22-7 |
| Catalog Number | AG01AQ8Z(AGN-PC-0RE8E1) |
| Chemical Name | 1-Amino-5-phenylpentan-3-ol |
| IUPAC Name | 1-amino-5-phenylpentan-3-ol |
| InChI | InChI=1S/C11H17NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2 |
| InChI Key | MQRVXBDFCCKLST-UHFFFAOYSA-N |
| MDL Number | MFCD16301957 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | NCCC(CCC1=CC=CC=C1)O |
| Synonyms | 1-amino-5-phenylpentan-3-ol,
375799-22-7,
SCHEMBL6680790,
AKOS014316307,
F2189-0751,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number