| CAS Number | 1017785-44-2 |
| Catalog Number | AG01AOGC |
| Chemical Name | (4-chloro-1-methyl-1H-pyrazol-3-yl)methanamine |
| IUPAC Name | (4-chloro-1-methylpyrazol-3-yl)methanamine |
| InChI | InChI=1S/C5H8ClN3/c1-9-3-4(6)5(2-7)8-9/h3H,2,7H2,1H3 |
| InChI Key | AVFPNFRQNKKPCZ-UHFFFAOYSA-N |
| MDL Number | MFCD04967128 |
| Molecular Formula | C5H8ClN3 |
| Molecular Weight | 145.5901 |
| SMILES | CN1N=C(CN)C(Cl)=C1 |
| Synonyms | 1017785-44-2,
(4-chloro-1-methyl-1H-pyrazol-3-yl)methanamine,
MCULE-5952327120,
ST45135329,
1H-Pyrazole-3-methanamine, 4-chloro-1-methyl-,
[(4-chloro-1-methyl-1H-pyrazol-3-yl)methyl]amine,
1-(4-chloro-1-methyl-1H-pyrazol-3-yl)methanamine,
(4-chloro-1-methylpyrazol-3-yl)methylamine,
1H-Pyrazole-3-methanamine,4-chloro-1-methyl-,
SCHEMBL444138,
AVFPNFRQNKKPCZ-UHFFFAOYSA-N,
SBB026637,
STK400232,
ZINC22637830,
AKOS005168647,
|
| Complexity | 98.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.59g/mol |
| Monoisotopic Mass | 145.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number