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N-(4-Butoxybenzylidene)-4-acetylaniline

Catalog Number
ACM17224189-1
Product Name
N-(4-Butoxybenzylidene)-4-acetylaniline
Structure
CAS
17224-18-9
Category
Liquid Crystal (LC) Building Blocks
Synonyms
Ethanone, 1-[4-[[(4-butoxyphenyl)methylene]amino]phenyl]-
IUPAC Name
1-[4-[(4-butoxyphenyl)methylideneamino]phenyl]ethanone
Molecular Weight
295.38
Molecular Formula
C19H21NO2
Canonical SMILES
CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C19H21NO2/c1-3-4-13-22-19-11-5-16(6-12-19)14-20-18-9-7-17(8-10-18)15(2)21/h5-12,14H,3-4,13H2,1-2H3
InChI Key
OCSNPDHAHJRADR-UHFFFAOYSA-N
Boiling Point
459.4±30.0 ºC
Melting Point
120 ºC
Purity
98%+
Density
1.02±0.1 g/ml
Solubility
soluble in Methanol
Appearance
Light yellow to Yellow to Orange powder to crystal
Complexity
350
Covalently-Bonded Unit Count
1
Exact Mass
295.157229g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
22
MDL Number
MFCD00059418
Monoisotopic Mass
295.157229g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
7
Signal Word
Warning
XLogP3
4.1
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