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197863-32-4 | 3-Pyrazolidinone, 1-(4-aminophenyl)-4,4-dimethyl-
CAS No: 197863-32-4 Catalog No: AG002B4E MDL No:
Product Description
Catalog Number:
AG002B4E
Chemical Name:
3-Pyrazolidinone, 1-(4-aminophenyl)-4,4-dimethyl-
CAS Number:
197863-32-4
Molecular Formula:
C11H15N3O
Molecular Weight:
205.2563
IUPAC Name:
1-(4-aminophenyl)-4,4-dimethylpyrazolidin-3-one
InChI:
InChI=1S/C11H15N3O/c1-11(2)7-14(13-10(11)15)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3,(H,13,15)
InChI Key:
IWPGKPWCKGMJMG-UHFFFAOYSA-N
SMILES:
O=C1NN(CC1(C)C)c1ccc(cc1)N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.261g/mol
Monoisotopic Mass:
205.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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