| CAS Number | 1431965-13-7 |
| Catalog Number | AG00JFOW(AGN-PC-0WBC72) |
| Chemical Name | (4-Bromo-1-methyl-1H-pyrazol-5-yl)methanamine hydrobromide |
| IUPAC Name | (4-bromo-2-methylpyrazol-3-yl)methanamine;hydrobromide |
| InChI | InChI=1S/C5H8BrN3.BrH/c1-9-5(2-7)4(6)3-8-9;/h3H,2,7H2,1H3;1H |
| InChI Key | RFTJIORHBDMNHE-UHFFFAOYSA-N |
| MDL Number | MFCD04969714 |
| Molecular Formula | C5H9Br2N3 |
| Molecular Weight | 270.9531 |
| SMILES | Br.BrC=1C=NN(C1CN)C |
| Synonyms | 1431965-13-7,
(4-bromo-1-methyl-1H-pyrazol-5-yl)methanamine hydrobromide,
MFCD25371138,
AKOS024395218,
MCULE-3039225988,
Z2106599926,
[(4-Bromo-1-methyl-1H-pyrazol-5-yl)methyl]amine hydrobromide,
|
| Complexity | 98.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.956g/mol |
| Monoisotopic Mass | 268.916g/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