| CAS Number | 30980-78-0 |
| Catalog Number | AG019MWB |
| Chemical Name | (2Z)-3-(4-Aminophenyl)-2-cyanoacrylamide |
| IUPAC Name | 3-(4-aminophenyl)-2-cyanoprop-2-enamide |
| InChI | InChI=1S/C10H9N3O/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5H,12H2,(H2,13,14) |
| InChI Key | LPHVGESWHAXWFR-UHFFFAOYSA-N |
| MDL Number | MFCD11099559 |
| Molecular Formula | C10H9N3O |
| Molecular Weight | 187.1980 |
| SMILES | NC(C(C#N)=CC1=CC=C(N)C=C1)=O |
| Synonyms | 3-(4-aminophenyl)-2-cyanoprop-2-enamide,
30980-78-0,
AC1NAAXV,
CTK7C3828,
AKOS034451246,
MCULE-7086243229,
Z56762354,
ZINC03164900,
CID4398857,
(2Z)-3-(4-aminophenyl)-2-cyanoacrylamide,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.202g/mol |
| Monoisotopic Mass | 187.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number