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87365-18-2 | 2-(2-aminoethyl)-2,3-dihydrophthalazine-1,4-dione
CAS No: 87365-18-2 Catalog No: AG004HFY MDL No:MFCD20502509
Product Description
Catalog Number:
AG004HFY
Chemical Name:
2-(2-aminoethyl)-2,3-dihydrophthalazine-1,4-dione
CAS Number:
87365-18-2
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD20502509
IUPAC Name:
3-(2-aminoethyl)-2H-phthalazine-1,4-dione
InChI:
InChI=1S/C10H11N3O2/c11-5-6-13-10(15)8-4-2-1-3-7(8)9(14)12-13/h1-4H,5-6,11H2,(H,12,14)
InChI Key:
BCJVDUHUXPYXOX-UHFFFAOYSA-N
SMILES:
NCCn1[nH]c(=O)c2c(c1=O)cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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