| CAS Number | 1325657-21-3 |
| Catalog Number | AG01AA7X |
| Chemical Name | 5-(Naphthalen-2-yl)-1H-pyrazol-3-amine dihydrochloride |
| IUPAC Name | 5-naphthalen-2-yl-1H-pyrazol-3-amine;dihydrochloride |
| InChI | InChI=1S/C13H11N3.2ClH/c14-13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11;;/h1-8H,(H3,14,15,16);2*1H |
| InChI Key | IWESHKFECNFCSL-UHFFFAOYSA-N |
| MDL Number | MFCD16990662 |
| Molecular Formula | C13H13Cl2N3 |
| Molecular Weight | 282.1684 |
| SMILES | Cl.Cl.NC1=NNC(C2=CC3=C(C=CC=C3)C=C2)=C1 |
| Synonyms | 5-(naphthalen-2-yl)-1H-pyrazol-3-amine dihydrochloride,
1325657-21-3,
AC1Q3ASF,
AKOS008108059,
MCULE-2965725259,
NE33419,
EN300-67399,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.168g/mol |
| Monoisotopic Mass | 281.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number