| CAS Number | 725718-10-5 |
| Catalog Number | AG00FEXG(AGN-PC-0U0V47) |
| Chemical Name | o-Anisonitrile, 3-amino- (5CI) |
| IUPAC Name | 3-amino-2-methoxybenzonitrile |
| InChI | InChI=1S/C8H8N2O/c1-11-8-6(5-9)3-2-4-7(8)10/h2-4H,10H2,1H3 |
| InChI Key | DWPSMIOGNINQKD-UHFFFAOYSA-N |
| MDL Number | MFCD18389725 |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.1619 |
| SMILES | NC=1C(=C(C#N)C=CC1)OC |
| Synonyms | 3-amino-2-methoxybenzonitrile,
725718-10-5,
3-amino methoxy benzonitrile,
o-Anisonitrile, 3-amino- (5CI),
2-AMINO-6-CYANOANISOLE,
SCHEMBL15689602,
CTK8E4352,
DWPSMIOGNINQKD-UHFFFAOYSA-N,
AKOS006363334,
TX-016662,
269411-71-4,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.165g/mol |
| Monoisotopic Mass | 148.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number