| CAS Number | 1052566-19-4 |
| Catalog Number | AG019MYF(AGN-PC-0WO7Z5) |
| Chemical Name | 1-(1,3-Dimethylbutyl)-1h-pyrazol-5-amine |
| IUPAC Name | 2-(4-methylpentan-2-yl)pyrazol-3-amine |
| InChI | InChI=1S/C9H17N3/c1-7(2)6-8(3)12-9(10)4-5-11-12/h4-5,7-8H,6,10H2,1-3H3 |
| InChI Key | FUJCCCHBIFUABO-UHFFFAOYSA-N |
| MDL Number | MFCD09740703 |
| Molecular Formula | C9H17N3 |
| Molecular Weight | 167.2514 |
| SMILES | CC(CC(N1C(N)=CC=N1)C)C |
| Synonyms | 1-(4-methylpentan-2-yl)-1H-pyrazol-5-amine,
1052566-19-4,
1-(1,3-dimethylbutyl)-1H-pyrazol-5-amine,
AC1Q1P41,
CTK6A6786,
AKOS000146883,
AKOS022219645,
MCULE-7762518266,
NE42338,
EN300-38936,
Z1245537949,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.256g/mol |
| Monoisotopic Mass | 167.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number