Basic information
- CAS
10484-13-6- Standard SMILES
COc1ccc(C=Nc2ccc(OC(C)=O)cc2)cc1- InChIKey
HOYWVKUPOCFKOT-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- 4-(((4-Methoxyphenyl)methylene)amino)phenyl acetate
- IUPAC
- [4-[(4-methoxyphenyl)methylideneamino]phenyl] acetate
- English name
- N-(4-Methoxybenzylidene)-4-acetoxyaniline
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
4-(((4-Methoxyphenyl)methylene)amino)phenyl acetate4-[[(4-methoxyphenyl)methylene]amino]phenyl acetateRefChem:508621233-993-610484-13-6N-(4-Methoxybenzylidene)-4-acetoxyaniline4'-Methoxybenzylidene-4-acetoxyanilinep-Anisylidene-p-aminophenyl acetatep-(N-Anisylideneamino)phenyl acetate[4-[(4-methoxyphenyl)methylideneamino]phenyl] acetate(E)-4-((4-Methoxybenzylidene)amino)phenyl acetate4-Methoxybenzylidene-4'-aminophenyl acetate
Show more names
APAPA4'-Anisal-4-acetoxyanilineN-(P-ANISAL)-4-ACETOXYANILINEANISYLIDENE-P-AMINOPHENYL ACETATE4'-Methoxybenzal-4-acetoxyanilineAnisilidene-p-aminophenyl acetateN-(P-ANISYLIDENE)-4-ACETOXYANILINE4-[(P-ANISYLIDENE)AMINO]PHENYL ACETATE4-Acetoxy-N-(4-methoxybenzylidene)aniline
p-[(p-Methoxybenzylidene)amino]phenyl acetateN-(p-Methoxybenzylidene)-p-aminophenyl acetateMFCD000419114-{[(4-methoxyphenyl)methylidene]amino}phenyl acetateAnisylidene p-aminophenylacetate4-((4-Methoxybenzylidene)amino)phenyl acetate(E)-N-(4-methoxybenzylidene)-4-acetoxyanilinep-(Anisylideneamino)phenyl acetate
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 418.2 · 418.2±30.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 3.53 · 3.53±0.50(Predicted)
- color
- White to Light red to Green
- 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/b17-11+
- InChIKey
- HOYWVKUPOCFKOT-GZTJUZNOSA-N
- SMILES
- C1(OC(=O)C)=CC=C(/N=C/C2=CC=C(OC)C=C2)C=C1
- EPA Substance Registry System
- 4 · Phenol, 4-[(E)-[(4-methoxyphenyl)methylene]amino]-, acetate (ester) (10484-13-6)
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2925.29.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-[(E)-[(4-methoxyphenyl)methylene]amino]-, 1-acetate: INACTIVE
Suppliers25 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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