| CAS Number | 1803585-74-1 |
| Catalog Number | AG01BA7D |
| Chemical Name | [3-(prop-2-yn-1-yloxy)phenyl]methanamine hydrochloride |
| IUPAC Name | (3-prop-2-ynoxyphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C10H11NO.ClH/c1-2-6-12-10-5-3-4-9(7-10)8-11;/h1,3-5,7H,6,8,11H2;1H |
| InChI Key | PBBQDTKKAADGBJ-UHFFFAOYSA-N |
| MDL Number | MFCD28390223 |
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.6614 |
| SMILES | Cl.NCC1=CC(OCC#C)=CC=C1 |
| Synonyms | [3-(prop-2-yn-1-yloxy)phenyl]methanamine hydrochloride,
1803585-74-1,
AKOS030757220,
EN300-208254,
Z2065464308,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.662g/mol |
| Monoisotopic Mass | 197.061g/mol |
| Rotatable Bond Count | 3 |
| 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