| CAS Number | 1251924-64-7 |
| Catalog Number | AG01AADX(AGN-PC-0WO4FL) |
| Chemical Name | 4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine |
| IUPAC Name | 4-(1-methylpyrazol-4-yl)butan-1-amine |
| InChI | InChI=1S/C8H15N3/c1-11-7-8(6-10-11)4-2-3-5-9/h6-7H,2-5,9H2,1H3 |
| InChI Key | LKMSDWRFQSEZFB-UHFFFAOYSA-N |
| MDL Number | MFCD16990692 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | CN1N=CC(CCCCN)=C1 |
| Synonyms | 4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine,
1251924-64-7,
AC1Q3YTT,
ZINC57218580,
AKOS012398094,
MCULE-8069487308,
NE56794,
EN300-68330,
Z1696822404,
|
| Complexity | 106 |
| 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 | 4 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number