| CAS Number | 1250183-30-2 |
| Catalog Number | AG01ABBL(AGN-PC-0WOBID) |
| Chemical Name | 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane |
| IUPAC Name | 1-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane |
| InChI | InChI=1S/C11H20N4/c1-2-15-10-11(8-13-15)9-14-6-3-4-12-5-7-14/h8,10,12H,2-7,9H2,1H3 |
| InChI Key | UGZUKZLKNGESLD-UHFFFAOYSA-N |
| MDL Number | MFCD16685522 |
| Molecular Formula | C11H20N4 |
| Molecular Weight | 208.3033 |
| SMILES | CCN1N=CC(CN2CCNCCC2)=C1 |
| Synonyms | 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane,
1250183-30-2,
ZINC50530782,
AKOS011407511,
MCULE-9491773218,
NE23780,
EN300-71098,
Z1266823367,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.168797g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.3g/mol |
| Monoisotopic Mass | 208.168797g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number