| CAS Number | 1152819-54-9 |
| Catalog Number | AG019UZU(AGN-PC-0WO2RJ) |
| Chemical Name | 3-[2-(1H-pyrazol-1-yl)ethoxy]aniline |
| IUPAC Name | 3-(2-pyrazol-1-ylethoxy)aniline |
| InChI | InChI=1S/C11H13N3O/c12-10-3-1-4-11(9-10)15-8-7-14-6-2-5-13-14/h1-6,9H,7-8,12H2 |
| InChI Key | XXVVMVARCLMKIM-UHFFFAOYSA-N |
| MDL Number | MFCD11652470 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | NC1=CC(OCCN2N=CC=C2)=CC=C1 |
| Synonyms | 3-[2-(1H-pyrazol-1-yl)ethoxy]aniline,
1152819-54-9,
AC1Q51RN,
CTK7D9215,
ZINC32625212,
AKOS009387834,
MCULE-9427979471,
NE56274,
EN300-43335,
Z445129384,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.245g/mol |
| Monoisotopic Mass | 203.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number