| CAS Number | 1170523-83-7 |
| Catalog Number | AG00HDS6(AGN-PC-0WB41B) |
| Chemical Name | 2-(1H-Pyrazol-1-yl)butan-1-ol |
| IUPAC Name | 2-pyrazol-1-ylbutan-1-ol |
| InChI | InChI=1S/C7H12N2O/c1-2-7(6-10)9-5-3-4-8-9/h3-5,7,10H,2,6H2,1H3 |
| InChI Key | HYXMEOVFOVGIPC-UHFFFAOYSA-N |
| MDL Number | MFCD10686588 |
| Molecular Formula | C7H12N2O |
| Molecular Weight | 140.1830 |
| SMILES | N1(C(CC)CO)C=CC=N1 |
| Synonyms | 2-(1H-pyrazol-1-yl)butan-1-ol,
1170523-83-7,
2-(1H-pyrazol-1-yl)-1-butanol,
2-(pyrazol-1-yl)butan-1-ol,
CTK6C9013,
ALBB-004305,
ZX-AN004273,
ZX-CM006327,
FCH881256,
MFCD10686588,
STK503090,
AKOS005171335,
TR-058142,
Y-6365,
2-pyrazol-1-ylbutan-1-ol,
|
| Complexity | 97.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.186g/mol |
| Monoisotopic Mass | 140.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number