| CAS Number | 949100-10-1 |
| Catalog Number | AG01AHD2(AGN-PC-0WO9D7) |
| Chemical Name | methyl[2-(1H-pyrazol-1-yl)ethyl]amine |
| IUPAC Name | N-methyl-2-pyrazol-1-ylethanamine |
| InChI | InChI=1S/C6H11N3/c1-7-4-6-9-5-2-3-8-9/h2-3,5,7H,4,6H2,1H3 |
| InChI Key | CUZNBROTVLFZKQ-UHFFFAOYSA-N |
| MDL Number | MFCD08701072 |
| Molecular Formula | C6H11N3 |
| Molecular Weight | 125.1716 |
| SMILES | CNCCN1N=CC=C1 |
| Synonyms | methyl[2-(1H-pyrazol-1-yl)ethyl]amine,
949100-10-1,
MFCD08701072,
N-METHYL-2-(1H-PYRAZOL-1-YL)ETHANAMINE,
SCHEMBL1455889,
ALBB-022642,
ZINC26547380,
AKOS003673713,
AB48422,
MCULE-7178867506,
NE34688,
BS-13096,
DB-032240,
EN300-74341,
methyl[2-(1H-pyrazol-1-yl)ethyl]amine dihydrochloride,
Z1139746250,
n-methyl-1h-pyrazole-1-ethanamine,
N-Methyl-2-(1H-pyrazol-1-yl)ethanamine dihydrochloride,
|
| Complexity | 74.7 |
| 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 | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number