| CAS Number | 1177283-50-9 |
| Catalog Number | AG019XJJ(AGN-PC-0WO0L0) |
| Chemical Name | (5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methanamine |
| IUPAC Name | (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine |
| InChI | InChI=1S/C7H13N3O/c1-5-6(4-8)7(11-3)10(2)9-5/h4,8H2,1-3H3 |
| InChI Key | KPSCRVKNEQXWFI-UHFFFAOYSA-N |
| MDL Number | MFCD11191785 |
| Molecular Formula | C7H13N3O |
| Molecular Weight | 155.1976 |
| SMILES | COC1=C(C(=NN1C)C)CN |
| Synonyms | (5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methanamine,
1177283-50-9,
AC1Q45IJ,
SCHEMBL16402573,
CTK7B1940,
KPSCRVKNEQXWFI-UHFFFAOYSA-N,
ZINC20469924,
AKOS009249646,
NE40934,
VS-0165,
EN300-55182,
1-(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methanamine,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.201g/mol |
| Monoisotopic Mass | 155.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number