| CAS Number | 943026-55-9 |
| Catalog Number | AG01B93A(AGN-PC-0WOKS9) |
| Chemical Name | [4-(prop-2-yn-1-yloxy)phenyl]methanamine |
| IUPAC Name | (4-prop-2-ynoxyphenyl)methanamine |
| InChI | InChI=1S/C10H11NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,3-6H,7-8,11H2 |
| InChI Key | VUVHYJKFIRKPJR-UHFFFAOYSA-N |
| MDL Number | MFCD12802758 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | NCC1=CC=C(OCC#C)C=C1 |
| Synonyms | [4-(prop-2-yn-1-yloxy)phenyl]methanamine,
943026-55-9,
4-(2-Propynyloxy)benzylamine,
SCHEMBL11957426,
ZINC37698876,
AKOS010101305,
Benzenemethanamine, 4-(2-propyn-1-yloxy)-,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number