Basic information
- CAS
4375-15-9- Standard SMILES
CC1CNc2ccccc21- InChIKey
BFQARNDIMKOOQQ-UHFFFAOYSA-N- Molecular formula
- C9H11N
- Average molar mass
- 133.19 g/mol
- Monoisotopic mass
- 133.08914935
Names & identifiers
- Preferred name
- 3-Methylindoline
- IUPAC
- 3-methyl-2,3-dihydro-1H-indole
- English name
- 3-Methyl-2,3-dihydro-1H-indole
- Molecular formula
- C9H11N
- Molecular weight
- 133.19
Names & synonyms
3-methylindoline4375-15-9DTXSID50335319RefChem:1068315DTXCID002864083-methyl-2,3-dihydro-1H-indole3-Methyl Indoline3-methyl-dihydroindoleMFCD077721151H-Indole, 2,3-dihydro-3-methyl-SCHEMBL133724433-methyl-2,3-di-hydro-1H-indole
Show more names
2,3-Dihydro-3-methylindole3-METHYL-2,3-DIHYDROINDOLE-HCl2,3-Dihydro-3-methyl-1H-indole3-Methyl-2,3-dihydroindole hydrochloride
AKOS000282650AKOS022206115CS-0199425EN300-41296(3R)-3-methylindoline2,3-dihydroskatole3-methyl-2,3-dihy(3S)-3-methylindoline
Database identifiers
- CAS
4375-15-9- PubChem CID
- 524504
- DTXSID
DTXSID50335319- Nikkaji
- J80.812A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 124.5 °C · 124.5 °C
- Boiling point
- 56 · 56-57 °C(Press: 0.35 Torr)
- Density
- 0.989 · 0.989±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 5.24 · 5.24±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Methyl-2,3-dihydroindole is a useful research chemical used in the total syntheses of (-)-asperlicin and (-)-asperlicin C.
Suppliers40 total
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Related reactions
11 records
Compound notes
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