Home Other Building Blocks [3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]methanamine dihydrochloride

[3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]methanamine dihydrochloride

CAS No.:
2108832-00-2
Catalog Number:
AG01EJFL
Molecular Formula:
C13H19Cl2N3
Molecular Weight:
288.2161
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Product Description
Catalog Number:
AG01EJFL
Chemical Name:
[3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]methanamine dihydrochloride
CAS Number:
2108832-00-2
Molecular Formula:
C13H19Cl2N3
Molecular Weight:
288.2161
MDL Number:
MFCD30099290
IUPAC Name:
[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine;dihydrochloride
InChI:
InChI=1S/C13H17N3.2ClH/c1-9-6-4-5-7-13(9)16-11(3)12(8-14)10(2)15-16;;/h4-7H,8,14H2,1-3H3;2*1H
InChI Key:
MHJZCEQQFHMMSY-UHFFFAOYSA-N
SMILES:
NCc1c(C)nn(c1C)c1ccccc1C.Cl.Cl
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.096g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
288.216g/mol
Monoisotopic Mass:
287.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties