| CAS Number | 1262770-79-5 |
| Catalog Number | AG00J15C(AGN-PC-0WB68A) |
| Chemical Name | [2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]methylamine sulfate |
| IUPAC Name | 2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine;sulfuric acid |
| InChI | InChI=1S/C8H15N3.H2O4S/c1-7-6-8(2)11(10-7)5-4-9-3;1-5(2,3)4/h6,9H,4-5H2,1-3H3;(H2,1,2,3,4) |
| InChI Key | ALYAUIAFRUKJRZ-UHFFFAOYSA-N |
| MDL Number | MFCD08062588 |
| Molecular Formula | C8H17N3O4S |
| Molecular Weight | 251.3033 |
| SMILES | S(=O)(=O)(O)O.N1(CCNC)C(C)=CC(C)=N1 |
| Synonyms | 1262770-79-5,
[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]methylamine sulfate,
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-methylethanamine sulfate,
ZX-CM002984,
MFCD08062588,
AKOS027426258,
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-methylethanamine sulfate, AldrichCPR,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.301g/mol |
| Monoisotopic Mass | 251.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number