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80944-69-0 | 1,4-Phthalazinedione, 6-[(4-aminobutyl)methylamino]-2,3-dihydro-
CAS No: 80944-69-0 Catalog No: AG0050JB MDL No:
Product Description
Catalog Number:
AG0050JB
Chemical Name:
1,4-Phthalazinedione, 6-[(4-aminobutyl)methylamino]-2,3-dihydro-
CAS Number:
80944-69-0
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
IUPAC Name:
6-[4-aminobutyl(methyl)amino]-2,3-dihydrophthalazine-1,4-dione
InChI:
InChI=1S/C13H18N4O2/c1-17(7-3-2-6-14)9-4-5-10-11(8-9)13(19)16-15-12(10)18/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,18)(H,16,19)
InChI Key:
NVOWEQPSRQXFQE-UHFFFAOYSA-N
SMILES:
NCCCCN(c1ccc2c(c1)c(=O)[nH][nH]c2=O)C
NSC Number:
622315
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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