| CAS Number | 1181458-27-4 |
| Catalog Number | AG019VEC(AGN-PC-0WODF9) |
| Chemical Name | 1-benzyl-1H-pyrazol-3-amine hydrochloride |
| IUPAC Name | 1-benzylpyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C10H11N3.ClH/c11-10-6-7-13(12-10)8-9-4-2-1-3-5-9;/h1-7H,8H2,(H2,11,12);1H |
| InChI Key | YTMZIFXCKOHKAE-UHFFFAOYSA-N |
| MDL Number | MFCD12197143 |
| Molecular Formula | C10H12ClN3 |
| Molecular Weight | 209.6754 |
| SMILES | Cl.NC1=NN(CC2=CC=CC=C2)C=C1 |
| Synonyms | 1-benzyl-1H-pyrazol-3-amine hydrochloride,
1181458-27-4,
AC1Q3D0T,
CTK7E0171,
AKOS026730403,
EN300-45019,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.677g/mol |
| Monoisotopic Mass | 209.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number