| CAS Number | 16728-65-7 |
| Catalog Number | AG019VZR |
| Chemical Name | 3-(2-phenylethoxy)propan-1-amine |
| IUPAC Name | 3-(2-phenylethoxy)propan-1-amine |
| InChI | InChI=1S/C11H17NO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2 |
| InChI Key | ONEOQRJTHAYVJL-UHFFFAOYSA-N |
| MDL Number | MFCD08450447 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | NCCCOCCC1=CC=CC=C1 |
| Synonyms | 3-(2-phenylethoxy)propan-1-amine,
16728-65-7,
AC1Q54JR,
SCHEMBL3246183,
CTK7E8535,
ZINC20369264,
AKOS009165099,
MCULE-8485133532,
NE13934,
EN300-49991,
Z1259161775,
|
| Complexity | 111 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number