| CAS Number | 1306604-22-7 |
| Catalog Number | AG01AHV3(AGN-PC-0WO8FJ) |
| Chemical Name | 3-amino-1-(4-aminophenyl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 3-amino-1-(4-aminophenyl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C10H9N5/c11-5-7-6-15(14-10(7)13)9-3-1-8(12)2-4-9/h1-4,6H,12H2,(H2,13,14) |
| InChI Key | YQCAFPXSADHHFZ-UHFFFAOYSA-N |
| MDL Number | MFCD18838721 |
| Molecular Formula | C10H9N5 |
| Molecular Weight | 199.2120 |
| SMILES | NC1C(C#N)=CN(C2=CC=C(N)C=C2)N=1 |
| Synonyms | 3-amino-1-(4-aminophenyl)-1H-pyrazole-4-carbonitrile,
EN300-75905,
1306604-22-7,
ZINC68590223,
AKOS026728810,
NE52839,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.217g/mol |
| Monoisotopic Mass | 199.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number