Basic information
- CAS
72906-26-4- Standard SMILES
CCOCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O- InChIKey
XWSOHSMPVBUXMC-UHFFFAOYSA-N- Molecular formula
- C21H19N3O5
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.13247072
Names & identifiers
- Preferred name
- 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-ethoxypropyl)-
- IUPAC
- 4,11-diamino-2-(3-ethoxypropyl)naphtho[2,3-f]isoindole-1,3,5,10-tetrone
- English name
- 4,11-diamino-2-(3-ethoxypropyl)-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone
- Molecular formula
- C21H19N3O5
- Molecular weight
- 393.39
Names & synonyms
EINECS 276-994-71H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-ethoxypropyl)-4,11-Diamino-2-(3-ethoxypropyl)-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone4,11-Diamino-2-(3-ethoxypropyl)-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetroneDTXSID60726371,4-Diamino-9,10-dihydro-N-(3-ethoxypropyl)-9,10-dioxo-2,3-anthracenedicarboximide1H-Naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-ethoxypropyl)-RefChem:239379DTXCID4047389276-994-772906-26-44,11-diamino-2-(3-ethoxypropyl)-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetraone
Show more names
D2ZJA5NT6YSCHEMBL14365729XWSOHSMPVBUXMC-UHFFFAOYSA-NNS000374274,11-Diamino-2-(3-ethoxypropyl)-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 671
Physicochemical properties
- Boiling point
- 679.6 · 679.6±55.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- pka
- -2.28 · -2.28±0.20(Predicted)
- EPA Substance Registry System
- 1 H-Naphth[2,3-f]isoindole-1,3,5,10 · 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-ethoxypropyl)- (72906-26-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-ethoxypropyl)-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-ethoxypropyl)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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