| CAS Number | 1185298-38-7 |
| Catalog Number | AG0090MU(AGN-PC-0WBUE0) |
| Chemical Name | N-Methyl-1-[4-(1H-pyrazol-1-yl)phenyl]methanamine diHCl |
| IUPAC Name | N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine;dihydrochloride |
| InChI | InChI=1S/C11H13N3.2ClH/c1-12-9-10-3-5-11(6-4-10)14-8-2-7-13-14;;/h2-8,12H,9H2,1H3;2*1H |
| InChI Key | VOXTUGGGNPSTBL-UHFFFAOYSA-N |
| MDL Number | MFCD06801105 |
| Molecular Formula | C11H14ClN3 |
| Molecular Weight | 223.7020 |
| SMILES | CNCc1ccc(cc1)n1cccn1.Cl.Cl |
| Synonyms | 1185298-38-7,
n-methyl-1-[4-(1h-pyrazol-1-yl)phenyl]methanamine dihydrochloride,
N-Methyl-1-[4-(1H-pyrazol-1-yl)phenyl]methanaminedihydrochloride,
1-(4-(1H-Pyrazol-1-yl)phenyl)-N-methylmethanamine dihydrochloride,
CTK6I5392,
0319AD,
AKOS015845069,
N-Methyl-1-[4-(1H-pyrazol-1-yl)phenyl]methanamine diHCl,
methyl({[4-(pyrazol-1-yl)phenyl]methyl})amine dihydrochloride,
N-Methyl-1-[4-(1H-pyrazol-1-yl)phenyl]methanamine dihydrochloride, AldrichCPR,
C11H15Cl2N3,
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| Complexity | 164 |
| 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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Certificate of Analysis
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