CS-0531833
(E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylacrylamide Entacapone Impurity
Manufacturer: ChemScene
CAS Number: 857629-79-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₁₉N₃O₅
Molecular Weight
333.34
Synonyms
3-O-ethylentacapone
SMILES
CCN(CC)C(/C(C#N)=C/C1=CC(OCC)=C(C([N+]([O-])=O)=C1)O)=O
Tpsa
116.7
Logp
2.47448
H Acceptors
6
H Donors
1
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 857629-79-9 | (2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide | A2B Chem | -- |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₉N₃O₅
Molecular Weight: 333.34
Synonyms: 3-O-ethylentacapone
SMILES: CCN(CC)C(/C(C#N)=C/C1=CC(OCC)=C(C([N+]([O-])=O)=C1)O)=O
Tpsa: 116.7
Logp: 2.47448
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₉N₃O₅
Molecular Weight:
333.34
Synonyms:
3-O-ethylentacapone
SMILES:
CCN(CC)C(/C(C#N)=C/C1=CC(OCC)=C(C([N+]([O-])=O)=C1)O)=O
Tpsa:
116.7
Logp:
2.47448
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁F₃N₂O₂
Molecular Weight: 296.24
Synonyms: methyl 2-[3-(trifluoromethyl)anilino]nicotinate
SMILES: O=C(C1=CC=CN=C1NC2=CC=CC(C(F)(F)F)=C2)OC
Tpsa: 51.22
Logp: 3.6306
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₁F₃N₂O₂
Molecular Weight:
296.24
Synonyms:
methyl 2-[3-(trifluoromethyl)anilino]nicotinate
SMILES:
O=C(C1=CC=CN=C1NC2=CC=CC(C(F)(F)F)=C2)OC
Tpsa:
51.22
Logp:
3.6306
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇F₃N₂O
Molecular Weight: 322.32
Synonyms: 2-((((1E)-2-Phenyl-1-(4-(trifluoromethyl)phenyl)ethylidene)amino)oxy)ethanamine
SMILES: FC(F)(C1=CC=C(/C(CC2=CC=CC=C2)=N\OCCN)C=C1)F
Tpsa: 47.61
Logp: 3.6275
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇F₃N₂O
Molecular Weight:
322.32
Synonyms:
2-((((1E)-2-Phenyl-1-(4-(trifluoromethyl)phenyl)ethylidene)amino)oxy)ethanamine
SMILES:
FC(F)(C1=CC=C(/C(CC2=CC=CC=C2)=N\OCCN)C=C1)F
Tpsa:
47.61
Logp:
3.6275
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₃ClFNO₂
Molecular Weight: 375.86
Synonyms: 4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(2-fluorophenyl)butan-1-one
SMILES: O=C(CCCN1CCC(C2=CC=C(C=C2)Cl)(CC1)O)C3=C(F)C=CC=C3
Tpsa: 40.54
Logp: 4.4256
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₃ClFNO₂
Molecular Weight:
375.86
Synonyms:
4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(2-fluorophenyl)butan-1-one
SMILES:
O=C(CCCN1CCC(C2=CC=C(C=C2)Cl)(CC1)O)C3=C(F)C=CC=C3
Tpsa:
40.54
Logp:
4.4256
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6