Basic information
- CAS
13034-76-9- Standard SMILES
CC1N(C)c2ccccc2C1(C)C- InChIKey
YNMGRZLDRLHRTN-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609954
Names & identifiers
- Preferred name
- 1,2,3,3-Tetramethylindoline
- IUPAC
- 1,2,3,3-tetramethyl-2H-indole
- English name
- 1,2,3,3-Tetramethyl-2,3-dihydro-1H-indole
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
1,2,3,3-Tetramethylindoline13034-76-9DTXSID00344173RefChem:214234DTXCID102952481,2,3,3-Tetramethyl-2,3-dihydro-1H-indole1,2,3,3-tetramethyl-2H-indole2,3-dihydro-1,2,3,3-tetramethyl-1H-Indole1H-Indole, 2,3-dihydro-1,2,3,3-tetramethyl-SCHEMBL3144433SCHEMBL10761509SCHEMBL11358216
Show more names
SCHEMBL295067841,2,3,3-Tetramethylindoline #AKOS032954360DB-127383Z104472832
Database identifiers
- CAS
13034-76-9- PubChem CID
- 594839
- DTXSID
DTXSID00344173- Nikkaji
- J131.405J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 162 °C · 162 °C
- Boiling point
- 134 · 134-135 °C(Press: 15 Torr)
- Density
- 0.932 · 0.932±0.06 g/cm3(Predicted)
- pka
- 6.35 · 6.35±0.60(Predicted)
Chemistry & industry
Suppliers1 total
PRINCETON[email protected]
Related reactions
1 records
Compound notes
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