Basic information
- CAS
72928-46-2- Standard SMILES
CCCCCCC(C=Nc1ccccc1C(=O)OCCC(C)C)=Cc1ccccc1- InChIKey
LJVJMEOGMBKLKV-UHFFFAOYSA-N- Molecular formula
- C27H35NO2
- Average molar mass
- 405.6 g/mol
- Monoisotopic mass
- 405.26677936
Names & identifiers
- Preferred name
- Benzoic acid, 2-((2-(phenylmethylene)octylidene)amino)-, 3-methylbutyl ester
- IUPAC
- 3-methylbutyl 2-(2-benzylideneoctylideneamino)benzoate
Names & synonyms
72928-46-2DTXSID60868204Benzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, 3-methylbutyl esterEINECS 277-075-3Benzoic acid, 2-((2-(phenylmethylene)octylidene)amino)-, 3-methylbutyl esterRefChem:326617DTXCID30816333LJVJMEOGMBKLKV-UHFFFAOYSA-NNS000606513-Methylbutyl 2-[(2-benzylideneoctylidene)amino]benzoate
Database identifiers
- CAS
72928-46-2- PubChem CID
- 166370
- DTXSID
DTXSID60868204- EC Number
- 277-075-3
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 531
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, 3-methylbutyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, 3-methylbutyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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