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N-(4-Methoxybenzylidene)-4-acetoxyaniline

Catalog Number
ACM10484136
Product Name
N-(4-Methoxybenzylidene)-4-acetoxyaniline
Structure
CAS
10484-13-6
Category
Liquid Crystal (LC) Materials
Synonyms
N-(p-Anisal)-4-acetoxyaniline
IUPAC Name
[4-[(4-methoxyphenyl)methylideneamino]phenyl] acetate
Molecular Weight
269.3
Molecular Formula
C16H15NO3
Canonical SMILES
CC(=O)OC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H15NO3/c1-12(18)20-16-9-5-14(6-10-16)17-11-13-3-7-15(19-2)8-4-13/h3-11H,1-2H3
InChI Key
HOYWVKUPOCFKOT-UHFFFAOYSA-N
Melting Point
63 °C
Purity
99%+
Solubility
soluble in Methanol
Appearance
White to Light red to Green powder to crystal
Complexity
327
Covalently-Bonded Unit Count
1
EC Number
233-993-6
Exact Mass
269.105193g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
20
MDL Number
MFCD00041911
MeSH Entry Terms
adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine;adenylyl-adenylyl-adenosine;ApApA
Monoisotopic Mass
269.105193g/mol
NSC Number
127559
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.
Refractive Index
1.55
Rotatable Bond Count
5
Signal Word
Warning
XLogP3
2.8
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