Home Other Building Blocks 1-(4-methoxy-1-methyl-1H-pyrazol-3-yl)ethan-1-amine dihydrochloride

1-(4-methoxy-1-methyl-1H-pyrazol-3-yl)ethan-1-amine dihydrochloride

CAS No.:
2137581-69-0
Catalog Number:
AG01EJID
Molecular Formula:
C7H15Cl2N3O
Molecular Weight:
228.1195
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Product Description
Catalog Number:
AG01EJID
Chemical Name:
1-(4-methoxy-1-methyl-1H-pyrazol-3-yl)ethan-1-amine dihydrochloride
CAS Number:
2137581-69-0
Molecular Formula:
C7H15Cl2N3O
Molecular Weight:
228.1195
MDL Number:
MFCD31448759
IUPAC Name:
1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine;dihydrochloride
InChI:
InChI=1S/C7H13N3O.2ClH/c1-5(8)7-6(11-3)4-10(2)9-7;;/h4-5H,8H2,1-3H3;2*1H
InChI Key:
ZQOBITPFLUKNMX-UHFFFAOYSA-N
SMILES:
COc1cn(nc1C(N)C)C.Cl.Cl
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.117g/mol
Monoisotopic Mass:
227.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties