| CAS Number | 1423367-36-5 |
| Catalog Number | AG01A3PP(AGN-PC-0WOBVT) |
| Chemical Name | 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane |
| IUPAC Name | 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane |
| InChI | InChI=1S/C11H19N3/c1-8-11(9(2)14-13-8)10-6-4-3-5-7-12-10/h10,12H,3-7H2,1-2H3,(H,13,14) |
| InChI Key | QWQQOCFYULMGMI-UHFFFAOYSA-N |
| MDL Number | MFCD24842744 |
| Molecular Formula | C11H19N3 |
| Molecular Weight | 193.2887 |
| SMILES | CC1C(C2NCCCCC2)=C(C)NN=1 |
| Synonyms | 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane,
1423367-36-5,
AKOS022972599,
MCULE-9088031665,
NE23245,
2-(3,5-Dimethyl-1H-pyrazol-4-yl)-azepane,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.294g/mol |
| Monoisotopic Mass | 193.158g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number