| CAS Number | 104179-00-2 |
| Catalog Number | AG00J33R(AGN-PC-0WB7KF) |
| Chemical Name | 1-(4-Propoxyphenyl)ethanamine |
| IUPAC Name | 1-(4-propoxyphenyl)ethanamine |
| InChI | InChI=1S/C11H17NO/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h4-7,9H,3,8,12H2,1-2H3 |
| InChI Key | CGMYQZSDLTVWPQ-UHFFFAOYSA-N |
| MDL Number | MFCD09045402 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC(N)C1=CC=C(OCCC)C=C1 |
| Synonyms | 1-(4-propoxyphenyl)ethanamine,
104179-00-2,
(1R)-1-(4-Propoxyphenyl)ethan-1-amine,
(1S)-1-(4-Propoxyphenyl)ethan-1-amine,
1212159-97-1,
1212371-66-8,
SCHEMBL8285038,
CTK6E5932,
alpha-Methyl-4-propoxybenzylamine,
BBL022954,
MFCD09045402,
STL069422,
AKOS000129288,
AKOS022060698,
MCULE-2892560194,
Y-4887,
|
| Complexity | 130 |
| 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 | 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