| CAS Number | 1258640-56-0 |
| Catalog Number | AG01AB9A |
| Chemical Name | methyl({[2-(prop-2-yn-1-yloxy)phenyl]methyl})amine hydrochloride |
| IUPAC Name | N-methyl-1-(2-prop-2-ynoxyphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C11H13NO.ClH/c1-3-8-13-11-7-5-4-6-10(11)9-12-2;/h1,4-7,12H,8-9H2,2H3;1H |
| InChI Key | KAKNIBJSDRDYNF-UHFFFAOYSA-N |
| MDL Number | MFCD17078404 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | Cl.CNCC1=C(OCC#C)C=CC=C1 |
| Synonyms | methyl({[2-(prop-2-yn-1-yloxy)phenyl]methyl})amine hydrochloride,
1258640-56-0,
EN300-70843,
AC1Q3BSJ,
AKOS008054673,
MCULE-1918553923,
NE55897,
Z1263820303,
N-methyl-1-[2-(prop-2-yn-1-yloxy)phenyl]methanamine hydrochloride,
|
| Complexity | 182 |
| 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 | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number