| CAS Number | 807315-40-8 |
| Catalog Number | AG00J2OY(AGN-PC-0WB62Q) |
| Chemical Name | 2-(1-methyl-1H-pyrazol-5-yl)ethanamine |
| IUPAC Name | 2-(2-methylpyrazol-3-yl)ethanamine |
| InChI | InChI=1S/C6H11N3/c1-9-6(2-4-7)3-5-8-9/h3,5H,2,4,7H2,1H3 |
| InChI Key | UGBXFYZRZQPHFK-UHFFFAOYSA-N |
| MDL Number | MFCD19620954 |
| Molecular Formula | C6H11N3 |
| Molecular Weight | 125.1716 |
| SMILES | N1(C)C(CCN)=CC=N1 |
| Synonyms | 2-(1-methyl-1H-pyrazol-5-yl)ethanamine,
807315-40-8,
2-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine,
SCHEMBL13476170,
UGBXFYZRZQPHFK-UHFFFAOYSA-N,
ALBB-021667,
2-(1-methylpyrazol-5-yl)ethylamine,
MFCD19620954,
SBB073922,
ZINC69022025,
AKOS013277312,
MCULE-2005560511,
VS-0272,
[2-(1-Methyl-1H-pyrazol-5-yl)ethyl]amine,
Y-8089,
Z2106604324,
|
| Complexity | 84.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.175g/mol |
| Monoisotopic Mass | 125.095g/mol |
| Rotatable Bond Count | 2 |
| 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