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80944-68-9 | 1,4-Phthalazinedione, 6-[(2-aminoethyl)amino]-2,3-dihydro-
CAS No: 80944-68-9 Catalog No: AG005HV8 MDL No:
Product Description
Catalog Number:
AG005HV8
Chemical Name:
1,4-Phthalazinedione, 6-[(2-aminoethyl)amino]-2,3-dihydro-
CAS Number:
80944-68-9
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
IUPAC Name:
6-(2-aminoethylamino)-2,3-dihydrophthalazine-1,4-dione
InChI:
InChI=1S/C10H12N4O2/c11-3-4-12-6-1-2-7-8(5-6)10(16)14-13-9(7)15/h1-2,5,12H,3-4,11H2,(H,13,15)(H,14,16)
InChI Key:
NHUVYJJAKMDJAF-UHFFFAOYSA-N
SMILES:
NCCNc1ccc2c(c1)c(=O)[nH][nH]c2=O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
220.232g/mol
Monoisotopic Mass:
220.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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