| CAS Number | 606490-51-1 |
| Catalog Number | AG00ENI7(AGN-PC-07ACIH) |
| Chemical Name | 2-Amino-5-cyanobenzamide |
| IUPAC Name | 2-amino-5-cyanobenzamide |
| InChI | InChI=1S/C8H7N3O/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3H,10H2,(H2,11,12) |
| InChI Key | DPDSEWSXEVCKQX-UHFFFAOYSA-N |
| MDL Number | MFCD16877169 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | N#Cc1ccc(c(c1)C(=O)N)N |
| Synonyms | 2-Amino-5-cyanobenzamide,
606490-51-1,
Benzamide, 2-amino-5-cyano- (9CI),
SCHEMBL2312770,
CTK5B1983,
DTXSID30665626,
ZINC39065533,
BENZAMIDE, 2-AMINO-5-CYANO-,
FT-0645399,
Z1990,
Benzamide,2-amino-5-cyano-,
C8H7N3O,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.164g/mol |
| Monoisotopic Mass | 161.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number