1-(1-Methyl-1H-pyrazol-3-yl)-N-[(1-methyl-1H-pyrazol-5-yl)methyl]methanamine trihydrochloride - CAS 2101200-73-9
Catalog: |
BB051250 |
Product Name: |
1-(1-Methyl-1H-pyrazol-3-yl)-N-[(1-methyl-1H-pyrazol-5-yl)methyl]methanamine trihydrochloride |
CAS: |
2101200-73-9 |
Synonyms: |
1H-Pyrazole-3-methanamine, 1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-, hydrochloride (1:3) |
Related CAS: | 1856048-77-5 (monohydrochloride)
|
IUPAC Name: | 1-(1-methylpyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;trihydrochloride |
Molecular Weight: | 314.64 |
Molecular Formula: | C10H18Cl3N5 |
Canonical SMILES: | CN1C=CC(=N1)CNCC2=CC=NN2C.Cl.Cl.Cl |
InChI: | InChI=1S/C10H15N5.3ClH/c1-14-6-4-9(13-14)7-11-8-10-3-5-12-15(10)2;;;/h3-6,11H,7-8H2,1-2H3;3*1H |
InChI Key: | RIUONAYAQANMLL-UHFFFAOYSA-N |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.062779 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.062779 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 47.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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