| CAS Number | 1007459-53-1 |
| Catalog Number | AG01AHPY(AGN-PC-0WO1CD) |
| Chemical Name | 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-amine |
| IUPAC Name | 1-(1-propan-2-ylpyrazol-4-yl)ethanamine |
| InChI | InChI=1S/C8H15N3/c1-6(2)11-5-8(4-10-11)7(3)9/h4-7H,9H2,1-3H3 |
| InChI Key | LNFYVTUMCGJYBN-UHFFFAOYSA-N |
| MDL Number | MFCD08700769 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | C(C)(C)N1N=CC(=C1)C(C)N |
| Synonyms | 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-amine,
1007459-53-1,
1-(1-Isopropyl-1H-pyrazol-4-yl)ethan-1-amine,
AC1Q1Q1M,
SCHEMBL18793297,
CTK6A5941,
AKOS003672906,
AKOS017463676,
MCULE-2779986491,
NE59032,
EN300-75436,
Z959151572,
1-(1-Isopropyl-1H-pyrazol-4-yl)-ethylamine,
|
| Complexity | 125 |
| 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 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number