| CAS Number | 1240526-44-6 |
| Catalog Number | AG01A8VO(AGN-PC-0WO6HE) |
| Chemical Name | 2-(1-phenyl-1H-pyrazol-3-yl)ethan-1-amine |
| IUPAC Name | 2-(1-phenylpyrazol-3-yl)ethanamine |
| InChI | InChI=1S/C11H13N3/c12-8-6-10-7-9-14(13-10)11-4-2-1-3-5-11/h1-5,7,9H,6,8,12H2 |
| InChI Key | URRPTBKQFRZAHO-UHFFFAOYSA-N |
| MDL Number | MFCD02853702 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | NCCC1=NN(C2=CC=CC=C2)C=C1 |
| Synonyms | 2-(1-phenyl-1H-pyrazol-3-yl)ethan-1-amine,
1240526-44-6,
1H-Pyrazole-3-ethanamine, 1-phenyl-,
AC1Q54CU,
SCHEMBL14736545,
ZINC47844115,
AKOS009097801,
MCULE-6782323664,
NE57077,
EN300-62675,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.246g/mol |
| Monoisotopic Mass | 187.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number