| CAS Number | 1609408-02-7 |
| Catalog Number | AG00J122(AGN-PC-0WB6GA) |
| Chemical Name | (1-(2-Methoxyphenyl)-1H-pyrazol-4-yl)methanamine dihydrochloride |
| IUPAC Name | [1-(2-methoxyphenyl)pyrazol-4-yl]methanamine;dihydrochloride |
| InChI | InChI=1S/C11H13N3O.2ClH/c1-15-11-5-3-2-4-10(11)14-8-9(6-12)7-13-14;;/h2-5,7-8H,6,12H2,1H3;2*1H |
| InChI Key | ACAVIYUTOGAHQT-UHFFFAOYSA-N |
| MDL Number | MFCD09864240 |
| Molecular Formula | C11H15Cl2N3O |
| Molecular Weight | 276.1623 |
| SMILES | N1(C2=CC=CC=C2OC)C=C(C=N1)CN.Cl.Cl |
| Synonyms | 1609408-02-7,
{[1-(2-Methoxyphenyl)-1H-pyrazol-4-yl]methyl}amine dihydrochloride,
(1-(2-Methoxyphenyl)-1H-pyrazol-4-yl)methanamine dihydrochloride,
ZX-CM002625,
MFCD09864240,
AKOS027426744,
4003936-25G,
4003936-50G,
4003936-100G,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.161g/mol |
| Monoisotopic Mass | 275.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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