10H-Phenothiazine, 3,7-dioctyl-10-(phenylmethyl)-
Basic information
- CAS
6044-66-2- Standard SMILES
CCCCCCCCc1ccc2c(c1)Sc1cc(CCCCCCCC)ccc1N2Cc1ccccc1- InChIKey
BIJMTMUECQSXDH-UHFFFAOYSA-N- Molecular formula
- C35H47NS
- Average molar mass
- 513.8 g/mol
- Monoisotopic mass
- 513.34292168
Names & identifiers
- Preferred name
- 10H-Phenothiazine, 3,7-dioctyl-10-(phenylmethyl)-
- IUPAC
- 10-benzyl-3,7-dioctylphenothiazine
- English name
- 3,7-Dioctyl-10-(phenylmethyl)-10H-phenothiazine
- Molecular formula
- C35H47NS
- Molecular weight
- 513.82
Names & synonyms
6044-66-210H-Phenothiazine, 3,7-dioctyl-10-(phenylmethyl)-DTXSID0064092RefChem:437120DTXCID104281110-benzyl-3,7-dioctyl-10h-phenothiazineBIJMTMUECQSXDH-UHFFFAOYSA-NAKOS0302546543,7-Dioctyl-10-(phenylmethyl)-10H-phenothiazine
Database identifiers
- CAS
6044-66-2- PubChem CID
- 80144
- DTXSID
DTXSID0064092- Nikkaji
- J421.789F
Properties
Computed structural properties
- XLogP
- 13.3
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 643.9 · 643.9±55.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 0.39 · 0.39±0.20(Predicted)
- EPA Substance Registry System
- 10 H-Phenothiazine, · 10H-Phenothiazine, 3,7-dioctyl-10-(phenylmethyl)- (6044-66-2)
- 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 Information10H-Phenothiazine, 3,7-dioctyl-10-(phenylmethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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