Basic information
- CAS
15741-71-6- Standard SMILES
O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccccc12- InChIKey
SAQDVULJSRMFJO-UHFFFAOYSA-N- Molecular formula
- C18H14N2O2
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.10552769
Names & identifiers
- Preferred name
- 2-[2-(1H-indol-3-yl)ethyl]-1H-Isoindole-1,3(2H)-dione
- IUPAC
- 2-[2-(1H-indol-3-yl)ethyl]isoindole-1,3-dione
- English name
- 2-[2-(1H-Indol-3-yl)ethyl]isoindole-1,3-dione
- Molecular formula
- C18H14N2O2
- Molecular weight
- 290.32
Names & synonyms
2-[2-(1H-Indol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione2-(2-(1H-Indol-3-yl)ethyl)-1H-isoindole-1,3(2H)-dioneRefChem:452402112-011-915741-71-62-[2-(1H-indol-3-yl)ethyl]isoindole-1,3-dione3-(2-Phthalimidoethyl)indoleMFCD00406443NSC6972512-(2-(1H-indol-3-yl)ethyl)isoindoline-1,3-dione2-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione2-[2-(1H-indol-3-yl)ethyl]isoindoline-1,3-dione
Show more names
N-phthalimidotryptamine1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-indol-3-yl)ethyl]-
2-(2-indol-3-ylethyl)benzo[c]azolidine-1,3-dioneOprea1_469651Oprea1_566187CBDivE_002382MLS000712372SCHEMBL7351252-[2-(1H-Indol-3-yl)-ethyl]-isoindole-1,3-dioneCHEMBL300685
Database identifiers
- CAS
15741-71-6- PubChem CID
- 288577
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Melting point
- 164 °C · 164 °C
- Boiling point
- 518.9 · 518.9±33.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 17.13 · 17.13±0.30(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
18 records
Compound notes
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