5-[(3-aminopropyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
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Basic information
- CAS
2412056-37-0- Standard SMILES
NCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O- InChIKey
FBYBJWLMAJJZLG-UHFFFAOYSA-N- Molecular formula
- C16H18N4O4
- Average molar mass
- 330.34 g/mol
Names & identifiers
- Preferred name
- 5-[(3-aminopropyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
- IUPAC
- 5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
- English name
- 5-[(3-aminopropyl)amino]-2-(2,6-dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione,
- Molecular formula
- C16H18N4O4
- Molecular weight
- 330.34
Names & synonyms
2412056-37-05-[(3-aminopropyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione5-(3-aminopropylamino)-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dioneSCHEMBL22512266SCHEMBL29402677EN300-33367711Thalidomide-5-NH-C3-NH25-((3-aminopropyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione5-[(3-aminopropyl)amino]-2-(2,6-dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione,1H-Isoindole-1,3(2H)-dione, 5-[(3-aminopropyl)amino]-2-(2,6-dioxo-3-piperidinyl)-
Database identifiers
- CAS
2412056-37-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Boiling point
- 644.8 · 644.8±55.0 °C(Predicted)
- Density
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- pka
- 10.8 · 10.80±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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