Home Aminos 2-amino-1-(1-ethyl-1H-pyrazol-4-yl)ethan-1-one dihydrochloride

2-amino-1-(1-ethyl-1H-pyrazol-4-yl)ethan-1-one dihydrochloride

CAS No.:
2059941-87-4
Catalog Number:
AG01C0AB
Molecular Formula:
C7H13Cl2N3O
Molecular Weight:
226.1036
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Product Description
Catalog Number:
AG01C0AB
Chemical Name:
2-amino-1-(1-ethyl-1H-pyrazol-4-yl)ethan-1-one dihydrochloride
CAS Number:
2059941-87-4
Molecular Formula:
C7H13Cl2N3O
Molecular Weight:
226.1036
MDL Number:
MFCD30497898
IUPAC Name:
2-amino-1-(1-ethylpyrazol-4-yl)ethanone;dihydrochloride
InChI:
InChI=1S/C7H11N3O.2ClH/c1-2-10-5-6(4-9-10)7(11)3-8;;/h4-5H,2-3,8H2,1H3;2*1H
InChI Key:
PKHOUDZNSFYGTP-UHFFFAOYSA-N
SMILES:
NCC(=O)c1cnn(c1)CC.Cl.Cl
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
226.101g/mol
Monoisotopic Mass:
225.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties