Basic information
- CAS
37168-42-6- Standard SMILES
CCCCCOc1ccc(C=Nc2ccc(C(=O)OCC)cc2)cc1- InChIKey
ZQZICUICLNBRNL-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- Ethyl p-(p-pentyloxybenzylidene)aminobenzoate
- IUPAC
- ethyl 4-[(4-pentoxyphenyl)methylideneamino]benzoate
- English name
- Ethyl 4-(4-pentyloxybenzylideneamino)benzoate
- Molecular formula
- C21H25NO3
- Molecular weight
- 339.43
Names & synonyms
37168-42-6Ethyl p-(p-pentyloxybenzylidene)aminobenzoateETHYL 4-(4-PENTYLOXYBENZYLIDENEAMINO)BENZOATEethyl 4-[(4-pentoxyphenyl)methylideneamino]benzoateMFCD00043736Benzoic acid,4-[[[4-(pentyloxy)phenyl]methylene]amino]-, ethyl esterSCHEMBL3624875SCHEMBL3624877ZQZICUICLNBRNL-CJLVFECKSA-NEthyl 4-(((E)-[4-(pentyloxy)phenyl]methylidene)amino)benzoateAKOS015839692AKOS030242014
Show more names
(E)-ethyl 4-((4-(pentyloxy)benzylidene)aMino)benzoateBenzoic acid, 4-[[[4-(pentyloxy)phenyl]methylene]amino]-, ethyl ester
Ethyl 4-((4-(pentyloxy)benzylidene)amino)benzoateethyl 4-[(4-pentoxyphenyl)methyleneamino]benzoateEthyl 4-(((E)-[4-(pentyloxy)phenyl]methylidene)amino)benzoate #
Database identifiers
- CAS
37168-42-6- PubChem CID
- 142137
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Boiling point
- 480.584 · 480.584±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.039 · 1.039±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.46 · 3.460±0.10(predicted)
Chemistry & industry
Suppliers3 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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