| CAS Number | 3524-51-4 |
| Catalog Number | AG00C5QW(AGN-PC-0WB3L1) |
| Chemical Name | 1-Butyl-4-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-butyl-4-methylpyrazol-3-amine |
| InChI | InChI=1S/C8H15N3/c1-3-4-5-11-8(9)7(2)6-10-11/h6H,3-5,9H2,1-2H3 |
| InChI Key | WLSUBAQIYOSKAX-UHFFFAOYSA-N |
| MDL Number | MFCD08059944 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | C1(N)N(CCCC)N=CC=1C |
| Synonyms | 1-BUTYL-4-METHYL-1H-PYRAZOL-5-AMINE,
3524-51-4,
CHEMBRDG-BB 4014356,
SCHEMBL11696482,
CTK4H4022,
DTXSID20614229,
MFCD08059944,
ZINC19090105,
AKOS009269284,
AJ-71344,
Y-3498,
1-Butyl-4-methyl-1H-pyrazol-5-amine, AldrichCPR,
CHEMBRDG-BB4014356,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.229g/mol |
| Monoisotopic Mass | 153.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number