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

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

CAS No.:
1448611-81-1
Catalog Number:
AG01BJ3N
Molecular Formula:
C6H11Cl2N3O
Molecular Weight:
212.0770
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Product Description
Catalog Number:
AG01BJ3N
Chemical Name:
2-amino-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one dihydrochloride
CAS Number:
1448611-81-1
Molecular Formula:
C6H11Cl2N3O
Molecular Weight:
212.0770
MDL Number:
MFCD30751544
IUPAC Name:
2-amino-1-(1-methylpyrazol-4-yl)ethanone;dihydrochloride
InChI:
InChI=1S/C6H9N3O.2ClH/c1-9-4-5(3-8-9)6(10)2-7;;/h3-4H,2,7H2,1H3;2*1H
InChI Key:
NDRHCGPLXJPCLW-UHFFFAOYSA-N
SMILES:
NCC(=O)c1cnn(c1)C.Cl.Cl
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
212.074g/mol
Monoisotopic Mass:
211.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties