1H-Isoindole, 2,3-dihydro-2-(4-methoxyphenyl)-
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Basic information
- CAS
73357-44-5- Standard SMILES
COc1ccc(N2Cc3ccccc3C2)cc1- InChIKey
TVZLPBJFNKOMSL-UHFFFAOYSA-N- Molecular formula
- C15H15NO
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.1153641
Names & identifiers
- Preferred name
- 1H-Isoindole, 2,3-dihydro-2-(4-methoxyphenyl)-
- IUPAC
- 2-(4-methoxyphenyl)-1,3-dihydroisoindole
- English name
- 2-(4-Methoxyphenyl)isoindoline
- Molecular formula
- C15H15NO
- Molecular weight
- 225.29
Names & synonyms
73357-44-5DTXSID603574461H-Isoindole, 2,3-dihydro-2-(4-methoxyphenyl)-RefChem:239229DTXCID703085052-(4-Methoxyphenyl)isoindoline2-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole2-(4-methoxyphenyl)-1,3-dihydroisoindoleOprea1_4412072-p-methoxyphenyl-isoindolineSTL363762AKOS022118784
Show more names
SB65664CS-0364611F755195
Database identifiers
- CAS
73357-44-5- PubChem CID
- 853555
- DTXSID
DTXSID60357446- Nikkaji
- J938.880J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 218 · 218-220 °C
- Boiling point
- 389.3 · 389.3±42.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.39 · 4.39±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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