6-[[(4-Butylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
Basic information
- CAS
49714-94-5- Standard SMILES
CCCCc1ccc(N=Cc2ccccc2O)cc1- InChIKey
SOFZORBDWLDPNC-UHFFFAOYSA-N- Molecular formula
- C17H19NO
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.14666423
Overview
See also: Alpha-(4-butylphenylimino)-O-cresol (annotation moved to).
Names & identifiers
- Preferred name
- 6-[[(4-Butylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
- IUPAC
- 2-[(4-butylphenyl)iminomethyl]phenol
- English name
- alpha-(4-Butylphenylimino)-o-cresol
- Molecular formula
- C17H19NO
- Molecular weight
- 253.34
Names & synonyms
49714-94-5N-(Salicylidene)-4-n-butylaniline6-[[(4-butylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-oneMFCD00020103NSC132533Oprea1_553371N-(4-Butylphenyl)salicylaldimineSTK9002192-[(4-butylphenyl)iminomethyl]phenolAKOS005648531AKOS024335343NSC-132533
Show more names
alpha-(4-Butylphenylimino)-o-cresolPhenol, 2-[[(4-butylphenyl)imino]methyl]-
NCGC00320671-01ST505502472-{(E)-[(4-butylphenyl)imino]methyl}phenol2-{(Z)-[(4-butylphenyl)imino]methyl}phenol2-[(1E)-2-(4-butylphenyl)-2-azavinyl]phenolAB01315373-02
Database identifiers
- CAS
49714-94-5- PubChem CID
- 280654
- Nikkaji
- J2.247.223B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 55 °C · 55 °C(Solv: ethanol (64-17-5))
- Boiling point
- 405.8 · 405.8±38.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 8.47 · 8.47±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H411
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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,GHS09
- Hazard statements
- H335-H315-H319-H411
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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