| CAS Number | 1052562-46-5 |
| Catalog Number | AG019WBU |
| Chemical Name | N-[3-(aminomethyl)phenyl]-2-(1H-pyrazol-1-yl)acetamide |
| IUPAC Name | N-[3-(aminomethyl)phenyl]-2-pyrazol-1-ylacetamide |
| InChI | InChI=1S/C12H14N4O/c13-8-10-3-1-4-11(7-10)15-12(17)9-16-6-2-5-14-16/h1-7H,8-9,13H2,(H,15,17) |
| InChI Key | RILLXSVMTBTXTF-UHFFFAOYSA-N |
| MDL Number | MFCD09046678 |
| Molecular Formula | C12H14N4O |
| Molecular Weight | 230.2658 |
| SMILES | NCC1=CC(NC(CN2N=CC=C2)=O)=CC=C1 |
| Synonyms | N-[3-(aminomethyl)phenyl]-2-(1H-pyrazol-1-yl)acetamide,
1052562-46-5,
AC1Q53W0,
CTK7E5701,
ZINC22209999,
AKOS000145190,
MCULE-9321092219,
NE45070,
EN300-51377,
Z744593024,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.271g/mol |
| Monoisotopic Mass | 230.117g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number