| CAS Number | 1269393-72-7 |
| Catalog Number | AG00J10F |
| Chemical Name | N-methyl-1-[2-(1H-pyrazol-1-yl)phenyl]methanamine dihydrochloride |
| IUPAC Name | N-methyl-1-(2-pyrazol-1-ylphenyl)methanamine;dihydrochloride |
| InChI | InChI=1S/C11H13N3.2ClH/c1-12-9-10-5-2-3-6-11(10)14-8-4-7-13-14;;/h2-8,12H,9H2,1H3;2*1H |
| InChI Key | LASVTNFAEAPCBN-UHFFFAOYSA-N |
| MDL Number | MFCD18483370 |
| Molecular Formula | C11H15Cl2N3 |
| Molecular Weight | 260.1629 |
| SMILES | Cl.Cl.CNCC1=C(C=CC=C1)N1C=CC=N1 |
| Synonyms | 1269393-72-7,
N-Methyl-1-[2-(1H-pyrazol-1-yl)phenyl]methanamine dihydrochloride,
1-(2-(1H-Pyrazol-1-yl)phenyl)-N-methylmethanamine dihydrochloride,
ZX-CM002378,
MFCD18483370,
MCULE-6794168618,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.162g/mol |
| Monoisotopic Mass | 259.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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