| CAS Number | 1152842-04-0 |
| Catalog Number | AG01A81Z(AGN-PC-0WODJX) |
| Chemical Name | 2-(4-Amino-1H-pyrazol-1-yl)acetonitrile |
| IUPAC Name | 2-(4-aminopyrazol-1-yl)acetonitrile |
| InChI | InChI=1S/C5H6N4/c6-1-2-9-4-5(7)3-8-9/h3-4H,2,7H2 |
| InChI Key | XMHXCZMZXXAHRY-UHFFFAOYSA-N |
| MDL Number | MFCD11128213 |
| Molecular Formula | C5H6N4 |
| Molecular Weight | 122.1279 |
| SMILES | N#CCN1N=CC(N)=C1 |
| Synonyms | 2-(4-amino-1H-pyrazol-1-yl)acetonitrile,
1152842-04-0,
2-(4-aminopyrazol-1-yl)acetonitrile,
AC1Q52GH,
SCHEMBL612055,
XMHXCZMZXXAHRY-UHFFFAOYSA-N,
ZINC19810571,
2-(4-Amino-1-pyrazolyl)acetonitrile,
AKOS000204800,
MCULE-3715471943,
NE57161,
CS-0088081,
EN300-60496,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.131g/mol |
| Monoisotopic Mass | 122.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number