| CAS Number | 1170367-63-1 |
| Catalog Number | AG019LJF |
| Chemical Name | 5-Amino-3-(3-aminopropyl)-1-phenyl-1H-pyrazole-4-carbonitrile hydrochloride |
| IUPAC Name | 5-amino-3-(3-aminopropyl)-1-phenylpyrazole-4-carbonitrile;hydrochloride |
| InChI | InChI=1S/C13H15N5.ClH/c14-8-4-7-12-11(9-15)13(16)18(17-12)10-5-2-1-3-6-10;/h1-3,5-6H,4,7-8,14,16H2;1H |
| InChI Key | NCKXAGRKUKAZGR-UHFFFAOYSA-N |
| MDL Number | MFCD09971493 |
| Molecular Formula | C13H16ClN5 |
| Molecular Weight | 277.7526 |
| SMILES | Cl.NCCCC1C(C#N)=C(N)N(C2=CC=CC=C2)N=1 |
| Synonyms | 5-amino-3-(3-aminopropyl)-1-phenyl-1H-pyrazole-4-carbonitrile hydrochloride,
1170367-63-1,
EN300-31471,
AC1Q3DBK,
CTK7E7850,
AKOS034200054,
MCULE-9321175996,
NE23090,
Z335451376,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.756g/mol |
| Monoisotopic Mass | 277.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number