1,2,5-Trimethyl-1H-indole-3-carbaldehyde
Basic information
- CAS
66727-62-6- Standard SMILES
Cc1ccc2c(c1)c(C=O)c(C)n2C- InChIKey
LKIGDPPNHGJUQB-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- 1,2,5-Trimethyl-1H-indole-3-carbaldehyde
- IUPAC
- 1,2,5-trimethylindole-3-carbaldehyde
- English name
- 1,2,5-trimethyl-1H-indole-3-carbaldehyde
- Molecular formula
- C12H13NO
- Molecular weight
- 187.24
Names & synonyms
1,2,5-Trimethyl-1H-indole-3-carbaldehyde66727-62-61,2,5-trimethylindole-3-carbaldehydeMFCD07364558SCHEMBL7598707RCA72762SBB010761AKOS000302876SY143755DB-354142CS-0224915ST50313671
Show more names
1,2,5-Trimethyl-1H-indole-3-carboxaldehyde1H-Indole-3-carboxaldehyde, 1,2,5-trimethyl-
EN300-121807G48305Z336080546
Database identifiers
- CAS
66727-62-6- PubChem CID
- 4777693
- EC Number
- 883-831-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 352 · 352.0±37.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(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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