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30415-45-3 | 1H-Naphth[2,3-f]isoindole-1,5,10-trione, 4,11-diamino-2-(2-butoxyethyl)-2,3-dihydro-3-imino-
CAS No: 30415-45-3 Catalog No: AG00301P MDL No:
Product Description
Catalog Number:
AG00301P
Chemical Name:
1H-Naphth[2,3-f]isoindole-1,5,10-trione, 4,11-diamino-2-(2-butoxyethyl)-2,3-dihydro-3-imino-
CAS Number:
30415-45-3
Molecular Formula:
C22H22N4O4
Molecular Weight:
406.4345
IUPAC Name:
4,11-diamino-2-(2-butoxyethyl)-1-iminonaphtho[2,3-f]isoindole-3,5,10-trione
InChI:
InChI=1S/C22H22N4O4/c1-2-3-9-30-10-8-26-21(25)15-16(22(26)29)18(24)14-13(17(15)23)19(27)11-6-4-5-7-12(11)20(14)28/h4-7,25H,2-3,8-10,23-24H2,1H3
InChI Key:
UECNRPKDQBDEFZ-UHFFFAOYSA-N
SMILES:
CCCCOCCn1c(=N)c2c(c1=O)c(N)c1c(c2N)c(=O)c2c(c1=O)cccc2
EC Number:
250-186-4
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.164g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.442g/mol
Monoisotopic Mass:
406.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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