Basic information
- CAS
73252-56-9- Standard SMILES
COc1cc(C=NC2CCCCC2)c(Br)c(OC)c1OC- InChIKey
MAFMMAZSWXOBGC-UHFFFAOYSA-N- Molecular formula
- C16H22BrNO3
- Average molar mass
- 356.25 g/mol
- Monoisotopic mass
- 355.07831
Names & identifiers
- Preferred name
- (E)-1-(2-Bromo-3,4,5-trimethoxyphenyl)-N-cyclohexylmethanimine
- IUPAC
- 1-(2-bromo-3,4,5-trimethoxyphenyl)-N-cyclohexylmethanimine
- English name
- N-(2-Bromo-3,4,5-trimethoxybenzylidene)cyclohexylamine
- Molecular formula
- C16H22BrNO3
- Molecular weight
- 356.25
Names & synonyms
73252-56-9NSC283817SCHEMBL5805478SCHEMBL5805481DTXSID70314464(E)-1-(2-Bromo-3,4,5-trimethoxyphenyl)-N-cyclohexylmethanimineNSC-283817N-(2-Bromo-3,4,5-trimethoxybenzylidene)cyclohexylamineCyclohexanamine, N-[(2-bromo-3,4,5-trimethoxyphenyl)methylene]-
Database identifiers
- CAS
73252-56-9- PubChem CID
- 323463
- DTXSID
DTXSID70314464
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 432.6 · 432.6±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 5.41 · 5.41±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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