1-(3,4,5-trimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanimine
Basic information
- CAS
101491-35-4- Standard SMILES
COc1cc(C=NCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC- InChIKey
XOHRDYUXXXTNQL-UHFFFAOYSA-N- Molecular formula
- C20H25NO6
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.16818752
Names & identifiers
- Preferred name
- 1-(3,4,5-trimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanimine
- IUPAC
- 1-(3,4,5-trimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanimine
- English name
- N-(3,4,5-Trimethoxybenzylidine)-3,4,5-trimethoxybenzylamine
- Molecular formula
- C20H25NO6
- Molecular weight
- 375.42
Names & synonyms
101491-35-4N-(3,4,5-Trimethoxybenzylidine)-3,4,5-trimethoxybenzylamine1-(3,4,5-trimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanimineBENZYLIDENIMINE, 3,4,5-TRIMETHOXY-N-(3,4,5-TRIMETHOXYBENZYL)-
Database identifiers
- CAS
101491-35-4- PubChem CID
- 58394
- Nikkaji
- J78.940B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 493.344 · 493.344±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.118 · 1.118±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.228 · 4.228±0.50(predicted)
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Compound notes
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