| CAS Number | 1142192-15-1 |
| Catalog Number | AG0090W4(AGN-PC-0WAO08) |
| Chemical Name | 4-Amino-5-methoxynicotinonitrile |
| IUPAC Name | 4-amino-5-methoxypyridine-3-carbonitrile |
| InChI | InChI=1S/C7H7N3O/c1-11-6-4-10-3-5(2-8)7(6)9/h3-4H,1H3,(H2,9,10) |
| InChI Key | MPQVJUVEJGVQPN-UHFFFAOYSA-N |
| MDL Number | MFCD12026748 |
| Molecular Formula | C7H7N3O |
| Molecular Weight | 149.1500 |
| SMILES | COC1=CN=CC(C#N)=C1N |
| Synonyms | 4-Amino-5-methoxynicotinonitrile,
1142192-15-1,
4-amino-5-methoxypyridine-3-carbonitrile,
AC1Q4F66,
CTK7B1910,
DTXSID00673930,
9193AC,
MFCD12026748,
ZINC35270503,
AKOS006315563,
TR-057721,
4-Amino-5-methoxynicotinonitrile, AldrichCPR,
A-6044,
C7H7N3O,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.153g/mol |
| Monoisotopic Mass | 149.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number