| CAS Number | 1179177-79-7 |
| Catalog Number | AG01A2O1(AGN-PC-0WO9DG) |
| Chemical Name | 1-Cyclopropyl-2-(3-methoxyphenyl)ethan-1-amine |
| IUPAC Name | 1-cyclopropyl-2-(3-methoxyphenyl)ethanamine |
| InChI | InChI=1S/C12H17NO/c1-14-11-4-2-3-9(7-11)8-12(13)10-5-6-10/h2-4,7,10,12H,5-6,8,13H2,1H3 |
| InChI Key | ZPKBWZXQODCLMX-UHFFFAOYSA-N |
| MDL Number | MFCD12782746 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | COC1=CC(CC(C2CC2)N)=CC=C1 |
| Synonyms | 1-cyclopropyl-2-(3-methoxyphenyl)ethan-1-amine,
1179177-79-7,
AKOS010311870,
NE51818,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number