Basic information
- CAS
25959-50-6- Standard SMILES
COc1ccc(C=Nc2ccc(C=CC(=O)O)cc2)cc1- InChIKey
UIELBEHBZKVMEI-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Overview
4-[(4-Methoxybenzylidene)amino]cinnamic Acid has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- 4-(Anisylideneamino)-cinnamic acid
- IUPAC
- 3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoic acid
- English name
- 4-[(4-Methoxybenzylidene)amino]cinnamic acid
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.31
Names & synonyms
4-(Anisylideneamino)-cinnamic acidRefChem:515123654-552-825959-50-64-[(4-Methoxybenzylidene)amino]cinnamic Acid3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoic acid2-Propenoic acid, 3-[4-[[(4-methoxyphenyl)methylene]amino]phenyl]-Bionet2_001602SCHEMBL4330111DTXSID50292271(Z)-3-(4-{[(Z)-(4-methoxyphenyl)methylidene]amino}phenyl)-2-propenoic acidAKOS024332337
Show more names
Nsc81273p-Anisalaminozimtsaeure4-(P-ANISALAMINO)CINNAMIC ACIDP-(ANISYLIDENEAMINO)CINNAMIC ACIDMethoxybenzylideneaminocinnamicacid4-[(P-ANISYLIDENE)AMINO]CINNAMIC ACID3-[4-(p-Anisalamino)phenyl]propenoic acid4-(4'-METHOXYBENZYLIDENE)AMINOCINNAMIC ACID
DB-262812F9813483-[4-[(4-methoxyphenyl)methyleneamino]phenyl]prop-2-enoic acid3-(4-{(E)-[(4-Methoxyphenyl)methylidene]amino}phenyl)prop-2-enoic acid
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 198 °C · 198 °C
- Boiling point
- 491.023 · 491.023±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.107 · 1.107±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.056 · 4.056±0.10(predicted)
- form
- powder to crystal
- color
- Light yellow to Amber to Dark green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HS Code
- 2922.49 · 2922.49.3700
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922.49.3700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [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 Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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