| CAS Number | 956805-00-8 |
| Catalog Number | AG01ABJ3(AGN-PC-0WO3VY) |
| Chemical Name | 3-(1H-pyrazol-1-yl)butan-2-amine |
| IUPAC Name | 3-pyrazol-1-ylbutan-2-amine |
| InChI | InChI=1S/C7H13N3/c1-6(8)7(2)10-5-3-4-9-10/h3-7H,8H2,1-2H3 |
| InChI Key | JUJSJFUYRXZKCK-UHFFFAOYSA-N |
| MDL Number | MFCD09261650 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | CC(C(N1N=CC=C1)C)N |
| Synonyms | 3-(1H-pyrazol-1-yl)butan-2-amine,
956805-00-8,
SCHEMBL6440593,
AKOS002671619,
AKOS016044884,
MCULE-4719502396,
NE44365,
EN300-71802,
Z1480642078,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.202g/mol |
| Monoisotopic Mass | 139.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number