2-{[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]amino}benzenecarbonitrile
Basic information
- CAS
477858-46-1- Standard SMILES
COc1ccc(O)c(C=Nc2ccccc2C#N)c1- InChIKey
HJFUDBRMWQQGRP-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
Names & identifiers
- Preferred name
- 2-{[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]amino}benzenecarbonitrile
- IUPAC
- 2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
- English name
- 2-([(E)-(2-Hydroxy-5-methoxyphenyl)methylidene]amino)benzenecarbonitrile
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
477858-46-12-{[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]amino}benzenecarbonitrile2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile2-[(E)-[(2-hydroxy-5-methoxyphenyl)methylidene]amino]benzonitrileMFCD02082782SCHEMBL12416965AKOS005078987AKOS03024369611P-6762-{[(2-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]AMINO}BENZONITRILE2-((2-Hydroxy-5-methoxybenzylidene)amino)benzonitrileBenzonitrile, 2-[[(2-hydroxy-5-methoxyphenyl)methylene]amino]-
Show more names
2-([(E)-(2-Hydroxy-5-methoxyphenyl)methylidene]amino)benzenecarbonitrile
Database identifiers
- CAS
477858-46-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 507.4 · 507.4±50.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 8.6 · 8.60±0.43(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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