| CAS Number | 953901-33-2 |
| Catalog Number | AG019ULZ |
| Chemical Name | 1-[2-(Propan-2-yloxy)phenyl]ethan-1-amine |
| IUPAC Name | 1-(2-propan-2-yloxyphenyl)ethanamine |
| InChI | InChI=1S/C11H17NO/c1-8(2)13-11-7-5-4-6-10(11)9(3)12/h4-9H,12H2,1-3H3 |
| InChI Key | OFGMBEPFKXAJKV-UHFFFAOYSA-N |
| MDL Number | MFCD09732827 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC(OC1=C(C(N)C)C=CC=C1)C |
| Synonyms | 1-[2-(propan-2-yloxy)phenyl]ethan-1-amine,
953901-33-2,
AC1Q1QLS,
CTK6B0926,
AKOS000140810,
AKOS022300663,
EN300-42082,
A1-08796,
|
| Complexity | 147 |
| 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 | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number