Benzoic acid, 2-((2-pentyl-2-nonenylidene)amino)-, methyl ester
Basic information
- CAS
67800-79-7- Standard SMILES
CCCCCC/C=C(\C=Nc1ccccc1C(=O)OC)CCCCC- InChIKey
IAHAHMKOSPDZNQ-QHYCYFEBSA-N- Molecular formula
- C22H33NO2
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.2511293
Names & identifiers
- Preferred name
- Benzoic acid, 2-((2-pentyl-2-nonenylidene)amino)-, methyl ester
- IUPAC
- methyl 2-[[(Z)-2-pentylnon-2-enylidene]amino]benzoate
Names & synonyms
Benzoic acid, 2-((2-pentyl-2-nonenylidene)amino)-, methyl esterMethyl o-N-(2-pentyl-2-nonenylidene)aminobenzoateEINECS 267-103-2Benzoic acid, 2-((2-pentyl-2-nonen-1-ylidene)amino)-, methyl esterMethyl o-((2-pentyl-2-nonenylidene)amino)benzoate
Database identifiers
- CAS
67800-79-7- PubChem CID
- 6437129
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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