| CAS Number | 1152576-43-6 |
| Catalog Number | AG00JF65(AGN-PC-0WBB85) |
| Chemical Name | (1-isobutyl-1H-pyrazol-4-yl)methylamine |
| IUPAC Name | [1-(2-methylpropyl)pyrazol-4-yl]methanamine |
| InChI | InChI=1S/C8H15N3/c1-7(2)5-11-6-8(3-9)4-10-11/h4,6-7H,3,5,9H2,1-2H3 |
| InChI Key | HBCWPJVOGPIDME-UHFFFAOYSA-N |
| MDL Number | MFCD09473509 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | CC(C)CN1C=C(CN)C=N1 |
| Synonyms | (1-isobutyl-1H-pyrazol-4-yl)methylamine,
1152576-43-6,
[1-(2-methylpropyl)pyrazol-4-yl]methylamine,
MFCD09473509,
SBB025670,
STK352611,
ZINC12397707,
AKOS005168105,
MCULE-8731067431,
ST45055095,
[1-(2-methylpropyl)-1H-pyrazol-4-yl]methanamine,
1-[1-(2-methylpropyl)-1H-pyrazol-4-yl]methanamine,
F8886-6243,
|
| Complexity | 114 |
| 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 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number