| CAS Number | 3524-38-7 |
| Catalog Number | AG00C5UH(AGN-PC-0WB3KS) |
| Chemical Name | 3-Methyl-1-(3-methylbutyl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-methyl-2-(3-methylbutyl)pyrazol-3-amine |
| InChI | InChI=1S/C9H17N3/c1-7(2)4-5-12-9(10)6-8(3)11-12/h6-7H,4-5,10H2,1-3H3 |
| InChI Key | WHTGOVCAWBYHEX-UHFFFAOYSA-N |
| MDL Number | MFCD08691579 |
| Molecular Formula | C9H17N3 |
| Molecular Weight | 167.2514 |
| SMILES | N1(CCC(C)C)N=C(C=C1N)C |
| Synonyms | 3524-38-7,
3-METHYL-1-(3-METHYLBUTYL)-1H-PYRAZOL-5-AMINE,
CHEMBRDG-BB 4014326,
1-Isopentyl-3-methyl-1H-pyrazol-5-amine,
CTK4H4018,
DTXSID40509284,
MFCD08691579,
ZINC19090088,
AKOS010675597,
MCULE-8391218738,
AJ-71339,
Y-4251,
CHEMBRDG-BB4014326,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number