| CAS Number | 949095-17-4 |
| Catalog Number | AG00J18S(AGN-PC-0WB3FM) |
| Chemical Name | N-((1-Methyl-1H-pyrazol-4-yl)methyl)ethanamine |
| IUPAC Name | N-[(1-methylpyrazol-4-yl)methyl]ethanamine |
| InChI | InChI=1S/C7H13N3/c1-3-8-4-7-5-9-10(2)6-7/h5-6,8H,3-4H2,1-2H3 |
| InChI Key | WODLNVYLYQXAOH-UHFFFAOYSA-N |
| MDL Number | MFCD03653080 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | N1=CC(=CN1C)CNCC |
| Synonyms | N-[(1-Methyl-1H-pyrazol-4-yl)methyl]ethanamine,
949095-17-4,
ethyl-(1-methyl-1H-pyrazol-4-ylmethyl)-amine,
N-((1-Methyl-1H-pyrazol-4-yl)methyl)ethanamine,
SCHEMBL2264125,
WODLNVYLYQXAOH-UHFFFAOYSA-N,
MFCD08700724,
ZINC11920296,
AKOS000262811,
MCULE-7474492693,
AJ-60529,
ethyl[(1-methyl-1H-pyrazol-4-yl)methyl]amine,
Y-4654,
F2169-0286,
N-[(1-Methyl-1H-pyrazol-4-yl)methyl]ethanamine, AldrichCPR,
|
| Complexity | 94.9 |
| 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 | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number