2-Indolinone, 1,3,3-trimethyl-
Basic information
- CAS
20200-86-6- Standard SMILES
CN1C(=O)C(C)(C)c2ccccc21- InChIKey
RFJITKCIMOLCNP-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 2-Indolinone, 1,3,3-trimethyl-
- IUPAC
- 1,3,3-trimethylindol-2-one
- English name
- 1,3,3-Trimethyl-2,3-dihydro-1H-indole-2-one
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
2-Indolinone, 1,3,3-trimethyl-2H-Indol-2-one, 1,3-dihydro-1,3,3-trimethyl-1,3,3-trimethylindol-2-one1,3,3-TrimethyloxindoleDTXSID50174048RefChem:87643DTXCID3096539RFJITKCIMOLCNP-UHFFFAOYSA-N20200-86-61,3,3-trimethylindolin-2-one1,3,3-TRIMETHYL-2,3-DIHYDRO-1H-INDOL-2-ONE1,3,3-Trimethyl-2,3-dihydro-1H-indole-2-one
Show more names
1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-one
MFCD004639011,3,3-Trimethyl-1,3-dihydro-2H-indol-2-one1,3,3-Trimethylindoline-2-one1,3,3-Trimethyl-1H-indole-2(3H)-one2,3-Dihydro-1,3,3-trimethyl-1H-indole-2-oneSCHEMBL1260714SCHEMBL1450305SCHEMBL1450869
Database identifiers
- CAS
20200-86-6- PubChem CID
- 30001
- DTXSID
DTXSID50174048- Nikkaji
- J131.402E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 50 °C · 50 °C
- Boiling point
- 131 · 131-136 °C
- Density
- 1.065 · 1.065±0.06 g/cm3(Predicted)
- pka
- 0.49 · 0.49±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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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