| CAS Number | 1352503-93-5 |
| Catalog Number | AG01C5GK |
| Chemical Name | 2-(1-Phenylpropoxy)ethan-1-amine |
| IUPAC Name | 2-(1-phenylpropoxy)ethanamine |
| InChI | InChI=1S/C11H17NO/c1-2-11(13-9-8-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9,12H2,1H3 |
| InChI Key | IUNSHSLDGLFMEQ-UHFFFAOYSA-N |
| MDL Number | MFCD20535103 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CCC(C1=CC=CC=C1)OCCN |
| Synonyms | 2-(1-phenylpropoxy)ethan-1-amine,
1352503-93-5,
AKOS026726220,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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