Home Other Building Blocks 1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]ethan-1-amine dihydrochloride

1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]ethan-1-amine dihydrochloride

CAS No.:
1354960-36-3
Catalog Number:
AG019S0N
Molecular Formula:
C13H19Cl2N3
Molecular Weight:
288.2161
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Product Description
Catalog Number:
AG019S0N
Chemical Name:
1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]ethan-1-amine dihydrochloride
CAS Number:
1354960-36-3
Molecular Formula:
C13H19Cl2N3
Molecular Weight:
288.2161
MDL Number:
MFCD20441727
IUPAC Name:
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine;dihydrochloride
InChI:
InChI=1S/C13H17N3.2ClH/c1-9-8-10(2)16(15-9)13-6-4-12(5-7-13)11(3)14;;/h4-8,11H,14H2,1-3H3;2*1H
InChI Key:
RZCKILNBMOYCLL-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1ccc(cc1)C(N)C.Cl.Cl
Properties
Complexity:
223  
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:
1  
Undefined Bond Stereocenter Count:
0
Properties