Home Aminos 5-(aminomethyl)-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one dihydrochloride

5-(aminomethyl)-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one dihydrochloride

CAS No.:
2126178-11-6
Catalog Number:
AG01EJJN
Molecular Formula:
C11H15Cl2N3O
Molecular Weight:
276.1623
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Product Description
Catalog Number:
AG01EJJN
Chemical Name:
5-(aminomethyl)-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one dihydrochloride
CAS Number:
2126178-11-6
Molecular Formula:
C11H15Cl2N3O
Molecular Weight:
276.1623
MDL Number:
MFCD31381159
IUPAC Name:
5-(aminomethyl)-1-methyl-2-phenylpyrazol-3-one;dihydrochloride
InChI:
InChI=1S/C11H13N3O.2ClH/c1-13-10(8-12)7-11(15)14(13)9-5-3-2-4-6-9;;/h2-7H,8,12H2,1H3;2*1H
InChI Key:
MKLFAYLPGOKBKO-UHFFFAOYSA-N
SMILES:
NCc1cc(=O)n(n1C)c1ccccc1.Cl.Cl
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.059g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
276.161g/mol
Monoisotopic Mass:
275.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties