| CAS Number | 1212078-33-5 |
| Catalog Number | AG009ZNS |
| Chemical Name | (S)-1-(4-Isopropoxyphenyl)ethanamine |
| IUPAC Name | (1S)-1-(4-propan-2-yloxyphenyl)ethanamine |
| InChI | InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/t9-/m0/s1 |
| InChI Key | QDLPHPPYMUBDRB-VIFPVBQESA-N |
| MDL Number | MFCD08057421 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC(OC1=CC=C([C@@H](N)C)C=C1)C |
| Synonyms | (1S)-1-[4-(propan-2-yloxy)phenyl]ethan-1-amine,
1212078-33-5,
AC1OMIJ2,
AC1Q1QNP,
SCHEMBL14121172,
CTK6B0712,
ZINC4992624,
AKOS010367116,
NE52495,
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine,
EN300-53072,
(1S)-1-(4-ISOPROPOXYPHENYL)ETHANAMINE,
CID7446792,
BRN 3244423,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number