Home Aminos 5-(1-aminoethyl)-2,3-dihydro-1H-pyrazol-3-one dihydrochloride

5-(1-aminoethyl)-2,3-dihydro-1H-pyrazol-3-one dihydrochloride

CAS No.:
2060035-06-3
Catalog Number:
AG01B6GL
Molecular Formula:
C5H11Cl2N3O
Molecular Weight:
200.0663
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Product Description
Catalog Number:
AG01B6GL
Chemical Name:
5-(1-aminoethyl)-2,3-dihydro-1H-pyrazol-3-one dihydrochloride
CAS Number:
2060035-06-3
Molecular Formula:
C5H11Cl2N3O
Molecular Weight:
200.0663
MDL Number:
MFCD30344912
IUPAC Name:
5-(1-aminoethyl)-1,2-dihydropyrazol-3-one;dihydrochloride
InChI:
InChI=1S/C5H9N3O.2ClH/c1-3(6)4-2-5(9)8-7-4;;/h2-3H,6H2,1H3,(H2,7,8,9);2*1H
InChI Key:
OWYJQNANDWZQEZ-UHFFFAOYSA-N
SMILES:
CC(c1[nH][nH]c(=O)c1)N.Cl.Cl
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.028g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
200.063g/mol
Monoisotopic Mass:
199.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties