Basic information
- CAS
94199-59-4- Standard SMILES
COC(=O)c1ccccc1N=CC(C)CCCC(C)CCC=C(C)C- InChIKey
LLKNNLDMKUTUKR-UHFFFAOYSA-N- Molecular formula
- C22H33NO2
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.2511293
Names & identifiers
- Preferred name
- Methyl 2-((2,6,10-trimethyl-9-undecenylidene)amino)benzoate
- IUPAC
- methyl 2-(2,6,10-trimethylundec-9-enylideneamino)benzoate
- English name
- methyl 2-[(2,6,10-trimethyl-9-undecenylidene)amino]benzoate
- Molecular formula
- C22H33NO2
- Molecular weight
- 343.5
Names & synonyms
94199-59-4EINECS 303-433-6Methyl 2-((2,6,10-trimethyl-9-undecenylidene)amino)benzoateLLKNNLDMKUTUKR-UHFFFAOYSA-NDTXSID001177204METHYL 2-[(2,6,10-TRIMETHYLUNDEC-9-EN-1-YLIDENE)AMINO]BENZOATENS00066203Methyl 2-[(2,6,10-trimethyl-9-undecen-1-ylidene)amino]benzoatemethyl 2-(2,6,10-trimethylundec-9-enylideneamino)benzoatemethyl 2-[(2,6,10-trimethyl-9-undecenylidene)amino]benzoate2-[(2,6,10-Trimethyl-9-undecen-1-ylidene)amino]benzoic acid methyl ester
Database identifiers
- CAS
94199-59-4- PubChem CID
- 3023935
- DTXSID
DTXSID001177204- EC Number
- 303-433-6
- Nikkaji
- J319.048J
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 458.065 · 458.065±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.948 · 0.948±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.073 · 4.073±0.50(predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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