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141777-01-7 | 1,4-Phthalazinedione, 5-[(4-aminobutyl)ethylamino]-2,3-dihydro-
CAS No: 141777-01-7 Catalog No: AG001H13 MDL No:
Product Description
Catalog Number:
AG001H13
Chemical Name:
1,4-Phthalazinedione, 5-[(4-aminobutyl)ethylamino]-2,3-dihydro-
CAS Number:
141777-01-7
Molecular Formula:
C14H20N4O2
Molecular Weight:
276.3342
IUPAC Name:
5-[4-aminobutyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
InChI:
InChI=1S/C14H20N4O2/c1-2-18(9-4-3-8-15)11-7-5-6-10-12(11)14(20)17-16-13(10)19/h5-7H,2-4,8-9,15H2,1H3,(H,16,19)(H,17,20)
InChI Key:
RURMUNITYJIVQO-UHFFFAOYSA-N
SMILES:
NCCCCN(c1cccc2c1c(=O)[nH][nH]c2=O)CC
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.159g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.34g/mol
Monoisotopic Mass:
276.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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