| CAS Number | 13519-16-9 |
| Catalog Number | AG01BH5Q(AGN-PC-0ND1EI) |
| Chemical Name | [(4-Methoxyphenyl)amino]formonitrile |
| IUPAC Name | (4-methoxyphenyl)cyanamide |
| InChI | InChI=1S/C8H8N2O/c1-11-8-4-2-7(3-5-8)10-6-9/h2-5,10H,1H3 |
| InChI Key | QQESBGXIUZCUIM-UHFFFAOYSA-N |
| MDL Number | MFCD09035203 |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.1619 |
| SMILES | COC1=CC=C(NC#N)C=C1 |
| Synonyms | (4-methoxyphenyl)cyanamide,
13519-16-9,
4-Methoxyphenylcyanamide,
[(4-methoxyphenyl)amino]carbonitrile,
[(4-methoxyphenyl)amino]formonitrile,
4-methoxy-phenyl-cyanamide,
4-Methoxy-phenyl cyanamide,
N-(4-methoxyphenyl)cyanamide,
SCHEMBL976891,
TPC-C009,
QQESBGXIUZCUIM-UHFFFAOYSA-N,
ZINC34566800,
AKOS004123219,
CID10931588,
|
| Complexity | 153 |
| 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 | 2 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number