| CAS Number | 1015845-81-4 |
| Catalog Number | AG0004V6(AGN-PC-0WB3FV) |
| Chemical Name | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methoxyethanamine |
| IUPAC Name | N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxyethanamine |
| InChI | InChI=1S/C9H17N3O/c1-3-12-8-9(7-11-12)6-10-4-5-13-2/h7-8,10H,3-6H2,1-2H3 |
| InChI Key | LHQXRLQFAAWQHE-UHFFFAOYSA-N |
| MDL Number | MFCD08691495 |
| Molecular Formula | C9H17N3O |
| Molecular Weight | 183.2508 |
| SMILES | N1=CC(=CN1CC)CNCCOC |
| Synonyms | 1015845-81-4,
N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-N-(2-METHOXYETHYL)AMINE,
N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-METHOXYETHANAMINE,
N-((1-Ethyl-1H-pyrazol-4-yl)methyl)-2-methoxyethanamine,
CTK3J9942,
DTXSID40650841,
ZX-CM003530,
7387AC,
MFCD08691495,
ZINC19089159,
AKOS002659223,
RTR-050693,
AJ-71132,
TR-050693,
Y-4183,
[(1-ethylpyrazol-4-yl)methyl](2-methoxyethyl)amine,
1H-Pyrazole-4-methanamine, 1-ethyl-N-(2-methoxyethyl)-,
N-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-2-methoxyethan-1-amine,
C9H17N3O,
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| Complexity | 132 |
| 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 | 6 |
| Topological Polar Surface Area | 39.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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