| CAS Number | 1221725-46-7 |
| Catalog Number | AG019Y4U |
| Chemical Name | 2-[4-(prop-2-yn-1-yloxy)phenyl]ethan-1-amine hydrochloride |
| IUPAC Name | 2-(4-prop-2-ynoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C11H13NO.ClH/c1-2-9-13-11-5-3-10(4-6-11)7-8-12;/h1,3-6H,7-9,12H2;1H |
| InChI Key | DYFZGLDXINQJSQ-UHFFFAOYSA-N |
| MDL Number | MFCD14705654 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | Cl.NCCC1=CC=C(OCC#C)C=C1 |
| Synonyms | 2-[4-(prop-2-yn-1-yloxy)phenyl]ethan-1-amine hydrochloride,
1221725-46-7,
EN300-57003,
AC1Q3DAJ,
CTK7E7463,
AKOS008140694,
MCULE-3812847475,
NE49782,
Z910842988,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.689g/mol |
| Monoisotopic Mass | 211.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number