| CAS Number | 1423029-36-0 |
| Catalog Number | AG01A2AW |
| Chemical Name | 3-amino-1-phenylbutane-1,4-diol |
| IUPAC Name | 3-amino-1-phenylbutane-1,4-diol |
| InChI | InChI=1S/C10H15NO2/c11-9(7-12)6-10(13)8-4-2-1-3-5-8/h1-5,9-10,12-13H,6-7,11H2 |
| InChI Key | ACQOCBCVBZQPAR-UHFFFAOYSA-N |
| MDL Number | MFCD22578508 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | NC(CC(C1=CC=CC=C1)O)CO |
| Synonyms | 3-amino-1-phenylbutane-1,4-diol,
1423029-36-0,
NE18308,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number