| CAS Number | 1185293-09-7 |
| Catalog Number | AG009PX1(AGN-PC-0WBUEA) |
| Chemical Name | 3-(1H-Pyrazol-1-yl)aniline dihydrochloride |
| IUPAC Name | 3-pyrazol-1-ylaniline;dihydrochloride |
| InChI | InChI=1S/C9H9N3.2ClH/c10-8-3-1-4-9(7-8)12-6-2-5-11-12;;/h1-7H,10H2;2*1H |
| InChI Key | XYZDLDUZQMWORN-UHFFFAOYSA-N |
| MDL Number | MFCD06801244 |
| Molecular Formula | C9H11Cl2N3 |
| Molecular Weight | 232.1097 |
| SMILES | Cl.Cl.NC1=CC(N2N=CC=C2)=CC=C1 |
| Synonyms | 1185293-09-7,
[3-(1h-pyrazol-1-yl)phenyl]amine dihydrochloride,
3-(1H-Pyrazol-1-yl)aniline dihydrochloride,
[3-(1H-Pyrazol-1-yl)phenyl]aminedihydrochloride,
CTK7D9051,
0177AD,
AKOS015845361,
3-(pyrazol-1-yl)aniline dihydrochloride,
TR-043233,
[3-(1H-Pyrazol-1-yl)phenyl]amine di hydrochloride,
C9H11Cl2N3,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.108g/mol |
| Monoisotopic Mass | 231.033g/mol |
| Rotatable Bond Count | 1 |
| 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