| CAS Number | 1155595-80-4 |
| Catalog Number | AG019XQP(AGN-PC-0WO86V) |
| Chemical Name | [1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]methanamine |
| IUPAC Name | [1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methanamine |
| InChI | InChI=1S/C9H17N3O/c1-7-9(6-10)8(2)12(11-7)4-5-13-3/h4-6,10H2,1-3H3 |
| InChI Key | FXFJFKNRTUWXBD-UHFFFAOYSA-N |
| MDL Number | MFCD12103783 |
| Molecular Formula | C9H17N3O |
| Molecular Weight | 183.2508 |
| SMILES | COCCN1C(C)=C(CN)C(C)=N1 |
| Synonyms | [1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]methanamine,
1155595-80-4,
AC1Q4G22,
ZINC37507105,
AKOS008139878,
MCULE-6193991296,
NE45414,
EN300-55793,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.255g/mol |
| Monoisotopic Mass | 183.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number