1-ethyl-2-phenyl-1H-indole
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Basic information
- CAS
13228-39-2- Standard SMILES
CCn1c(-c2ccccc2)cc2ccccc21- InChIKey
RAKSXVONTIQCGY-UHFFFAOYSA-N- Molecular formula
- C16H15N
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.12044948
Names & identifiers
- Preferred name
- 1-ethyl-2-phenyl-1H-indole
- IUPAC
- 1-ethyl-2-phenylindole
- English name
- 1-Ethyl-2-phenylindole
- Molecular formula
- C16H15N
- Molecular weight
- 221.3
Names & synonyms
1-Ethyl-2-phenylindole1-Ethyl-2-phenyl-1H-indole13228-39-22Q4U5R8QBVDTXSID70157459RefChem:1055422DTXCID2079950236-199-8N-Ethyl-2-phenylindole1H-Indole, 1-ethyl-2-phenyl-MFCD00031481EINECS 236-199-8
Show more names
LABOTEST-BB LT004543211-Ethyl-2-phenylindole>1-ETHYL-2-PHENYL-1H-INDOLE4-[(2-methylpropan-2-yl)oxy]benzoic acid1-ETHYL-2-PHENYL INDOLE HPLC 96.0% YELLOW CRYSTALLINE POWDER
2-phenyl-1-ethylindole1-ethyl-2-phenyl-indoleUNII-2Q4U5R8QBVSCHEMBL1171837SCHEMBL11327243SCHEMBL16619184SCHEMBL31413549SBB057896
Database identifiers
- CAS
13228-39-2- PubChem CID
- 83248
- DTXSID
DTXSID70157459- UNII
- 2Q4U5R8QBV
- EC Number
- 236-199-8
- Nikkaji
- J150.226C
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 85 · 85-86°C
- Boiling point
- 209 °C · 209 °C / 19mmHg
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 168581 · 168581
- CAS DataBase Reference
- 13228 · 13228-39-2(CAS DataBase Reference)
- FDA UNII
- 2 Q4U5R8QBV · 2Q4U5R8QBV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Safety Statements
- 22 · 22-24/25
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
17 records
Compound notes
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