Basic information
- CAS
52047-59-3- Standard SMILES
CCCCCCCCCCCCc1ccc(-c2cc3ccccc3[nH]2)cc1- InChIKey
BTFUHFBRQZAJRT-UHFFFAOYSA-N- Molecular formula
- C26H35N
- Average molar mass
- 361.6 g/mol
- Monoisotopic mass
- 361.27695012
Names & identifiers
- Preferred name
- 2-(4-Dodecylphenyl)indole
- IUPAC
- 2-(4-dodecylphenyl)-1H-indole
- English name
- 2-(4-dodecylphenyl)-1H-indole
- Molecular formula
- C26H35N
- Molecular weight
- 361.56
Names & synonyms
2-(4-Dodecylphenyl)-1H-indole52047-59-32-(4-Dodecylphenyl)indole1H-Indole, 2-(4-dodecylphenyl)-EINECS 257-624-36IKF676DP8DTXSID3068702RefChem:457490DTXCID7041126257-624-3UNII-6IKF676DP8SCHEMBL10513486
Show more names
BTFUHFBRQZAJRT-UHFFFAOYSA-NNS00060128Q27264966
Database identifiers
- CAS
52047-59-3- PubChem CID
- 104064
- DTXSID
DTXSID3068702- UNII
- 6IKF676DP8
- EC Number
- 257-624-3
- Nikkaji
- J279.432B
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- FDA UNII
- 6 IKF676DP8 · 6IKF676DP8
- EPA Substance Registry System
- 1 H-Indole, · 1H-Indole, 2-(4-dodecylphenyl)- (52047-59-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indole, 2-(4-dodecylphenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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