| CAS Number | 1152965-12-2 |
| Catalog Number | AG01ABBK(AGN-PC-0WO2PT) |
| Chemical Name | 1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane |
| IUPAC Name | 1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane |
| InChI | InChI=1S/C10H18N4/c1-13-8-10(7-12-13)9-14-5-2-3-11-4-6-14/h7-8,11H,2-6,9H2,1H3 |
| InChI Key | ZLFRDOPNEXBERC-UHFFFAOYSA-N |
| MDL Number | MFCD11170995 |
| Molecular Formula | C10H18N4 |
| Molecular Weight | 194.2767 |
| SMILES | CN1N=CC(CN2CCNCCC2)=C1 |
| Synonyms | 1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane,
1152965-12-2,
ZINC20253486,
AKOS009216850,
MCULE-3991190939,
NE22452,
EN300-71097,
F8880-4665,
Z1295559782,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.282g/mol |
| Monoisotopic Mass | 194.153g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number