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p-Cyanobenzal-p-anisidine

HCID 259759
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
20256-89-7
Standard SMILES
COc1ccc(N=Cc2ccc(C#N)cc2)cc1
InChIKey
ASVSTYQWCPHCFY-UHFFFAOYSA-N
Molecular formula
C15H12N2O
Average molar mass
236.27 g/mol

Names & identifiers

Preferred name
p-Cyanobenzal-p-anisidine
IUPAC
4-[(4-methoxyphenyl)iminomethyl]benzonitrile
English name
N-(4-Methoxyphenyl)-4-cyanobenzenemethanimine
Molecular formula
C15H12N2O
Molecular weight
236.27

Names & synonyms

p-Cyanobenzal-p-anisidine20256-89-74-(((4-Methoxyphenyl)imino)methyl)benzonitrile4-[(4-methoxyphenyl)iminomethyl]benzonitrileBenzonitrile, 4-[[(4-methoxyphenyl)imino]methyl]-N-(4-Cyanobenzylidene)-para-anisidinep-Tolunitrile, .alpha.-[(p-methoxyphenyl)imino]-4-[[(4-Methoxyphenyl)imino]methyl]benzonitrileNSC90302alpha-[(p-Methoxyphenyl)imino]-p-tolunitrileN-(4-Methoxyphenyl)-4-cyanobenzenemethanimineSCHEMBL295243
Show more names
α-[(p-Methoxyphenyl)imino]-p-tolunitrile
SCHEMBL3181342DTXSID30293509ASVSTYQWCPHCFY-GZTJUZNOSA-NASVSTYQWCPHCFY-UHFFFAOYSA-NMFCD00019762NSC-90302AKOS003408208AKOS024333029

Database identifiers

CAS
20256-89-7
PubChem CID
259759
DTXSID
DTXSID30293509
Nikkaji
J126.374I

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
45.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
315

Physicochemical properties

Melting point
108 °C · 108 °C
Boiling point
419.6 · 419.6±30.0 °C(Predicted)
Density
1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
2.38 · 2.38±0.50(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
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
Precautionary statements
P280-P305+P351+P338

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Related reactions

1 records
New reaction record
HRID 2241879 reaction equation
HRID 2241879As reactantuspto-grants-2010_03

Compound notes

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