| CAS Number | 1306603-16-6 |
| Catalog Number | AG01AI3G |
| Chemical Name | 2-[3-(aminomethyl)phenoxy]acetonitrile hydrochloride |
| IUPAC Name | 2-[3-(aminomethyl)phenoxy]acetonitrile;hydrochloride |
| InChI | InChI=1S/C9H10N2O.ClH/c10-4-5-12-9-3-1-2-8(6-9)7-11;/h1-3,6H,5,7,11H2;1H |
| InChI Key | JWNFWHHDXWHZJA-UHFFFAOYSA-N |
| MDL Number | MFCD18838814 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | Cl.NCC1=CC(OCC#N)=CC=C1 |
| Synonyms | 2-[3-(aminomethyl)phenoxy]acetonitrile hydrochloride,
1306603-16-6,
EN300-76652,
MCULE-4821517384,
NE45532,
Z1267881707,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number