Basic information
- Standard SMILES
CCn1c(C)c(C=O)c2cc(OC)ccc21- InChIKey
SGCYPGGANRMDOS-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
Names & identifiers
- Preferred name
- 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carbaldehyde
- IUPAC
- 1-ethyl-5-methoxy-2-methylindole-3-carbaldehyde
- English name
- 1-ETHYL-5-METHOXY-2-METHYL-1H-INDOLE-3-CARBALDEHYDE
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carbaldehyde36149-66-31-ethyl-5-methoxy-2-methylindole-3-carbaldehyde1-ethyl-5-methoxy-2-methyl-indole-3-carbaldehydeSCHEMBL8081123SBB011358AKOS000303167DB-363644CS-0358168ST50321211TIMTEC-BB SBB011358ASINEX-REAG BAS 10156540
Show more names
1H-Indole-3-carboxaldehyde, 1-ethyl-5-methoxy-2-methyl-
Database identifiers
- CAS
36149-66-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 381.7 · 381.7±37.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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