| CAS Number | 1354953-94-8 |
| Catalog Number | AG01ABBM |
| Chemical Name | 1-[(1-Propyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane |
| IUPAC Name | 1-[(1-propylpyrazol-4-yl)methyl]-1,4-diazepane |
| InChI | InChI=1S/C12H22N4/c1-2-6-16-11-12(9-14-16)10-15-7-3-4-13-5-8-15/h9,11,13H,2-8,10H2,1H3 |
| InChI Key | HHMVPZMWMBMOQZ-UHFFFAOYSA-N |
| MDL Number | MFCD20233439 |
| Molecular Formula | C12H22N4 |
| Molecular Weight | 222.3299 |
| SMILES | CCCN1N=CC(CN2CCNCCC2)=C1 |
| Synonyms | 1-[(1-propyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane,
1354953-94-8,
ZINC71382304,
AKOS023166303,
MCULE-6842323767,
NE30536,
EN300-71099,
Z1258578225,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.336g/mol |
| Monoisotopic Mass | 222.184g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number