| CAS Number | 1240528-27-1 |
| Catalog Number | AG01A91L |
| Chemical Name | [4-Methoxy-3-(prop-2-yn-1-yloxy)phenyl]methanamine hydrochloride |
| IUPAC Name | (4-methoxy-3-prop-2-ynoxyphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C11H13NO2.ClH/c1-3-6-14-11-7-9(8-12)4-5-10(11)13-2;/h1,4-5,7H,6,8,12H2,2H3;1H |
| InChI Key | AJZHQIDIJGTKKX-UHFFFAOYSA-N |
| MDL Number | MFCD16547608 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | Cl.COC1=C(OCC#C)C=C(CN)C=C1 |
| Synonyms | [4-methoxy-3-(prop-2-yn-1-yloxy)phenyl]methanamine hydrochloride,
1240528-27-1,
EN300-63981,
AC1Q3C0Q,
NE49227,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number