| CAS Number | 90206-23-8 |
| Catalog Number | AG00GS9O(AGN-PC-0WB3IV) |
| Chemical Name | 1-sec-Butyl-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-butan-2-yl-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C8H15N3/c1-4-7(3)11-8(9)5-6(2)10-11/h5,7H,4,9H2,1-3H3 |
| InChI Key | HTSBOHCPDGPFAJ-UHFFFAOYSA-N |
| MDL Number | MFCD03627810 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | N1(C(C)CC)N=C(C=C1N)C |
| Synonyms | 1-sec-Butyl-3-methyl-1H-pyrazol-5-amine,
90206-23-8,
CTK5G7524,
DTXSID30599114,
AKOS B024298,
MFCD03627810,
AKOS000308958,
MCULE-9848005947,
DA-18682,
FT-0703454,
1-(Sec-butyl)-3-methyl-1H-pyrazol-5-amine,
1-(Butan-2-yl)-3-methyl-1H-pyrazol-5-amine,
Y-0721,
1-sec-Butyl-3-methyl-1H-pyrazol-5-amine, AldrichCPR,
|
| Complexity | 127 |
| 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 | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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