| CAS Number | 1152913-95-5 |
| Catalog Number | AG01B0I6 |
| Chemical Name | pentyl[(trimethyl-1H-pyrazol-4-yl)methyl]amine |
| IUPAC Name | N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentan-1-amine |
| InChI | InChI=1S/C12H23N3/c1-5-6-7-8-13-9-12-10(2)14-15(4)11(12)3/h13H,5-9H2,1-4H3 |
| InChI Key | VAVYKIXDZXAFSK-UHFFFAOYSA-N |
| MDL Number | MFCD11157613 |
| Molecular Formula | C12H23N3 |
| Molecular Weight | 209.3311 |
| SMILES | CCCCCNCC1=C(C)N(C)N=C1C |
| Synonyms | pentyl[(trimethyl-1H-pyrazol-4-yl)methyl]amine,
1152913-95-5,
ZINC20086743,
AKOS009003767,
EN300-168881,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.337g/mol |
| Monoisotopic Mass | 209.189g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number