| CAS Number | 1255718-31-0 |
| Catalog Number | AG00J3CI |
| Chemical Name | N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine hydrochloride |
| IUPAC Name | N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C11H13N3.ClH/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11;/h2-6,8-9,12H,7H2,1H3;1H |
| InChI Key | LZGVNPXYTRDWIJ-UHFFFAOYSA-N |
| MDL Number | MFCD18483568 |
| Molecular Formula | C11H14ClN3 |
| Molecular Weight | 223.7020 |
| SMILES | N1(C2C=CC=CC=2)C=C(C=N1)CNC.Cl |
| Synonyms | N-Methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine hydrochloride,
1255718-31-0,
ZX-CM014369,
MFCD18483568,
AKOS032963125,
MCULE-6135411946,
N-Methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine hydrochloride, AldrichCPR,
868552-05-0,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.704g/mol |
| Monoisotopic Mass | 223.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number