CS-0531837
(E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-methylacrylamide Entacapone Impurity
Manufacturer: ChemScene
CAS Number: 1364322-41-7
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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
C₁₁H₉N₃O₅
Molecular Weight
263.21
Synonyms
2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-methylprop-2-enamide, (2E)-
SMILES
CNC(/C(C#N)=C/C1=CC([N+]([O-])=O)=C(C(O)=C1)O)=O
Tpsa
136.49
Logp
0.65898
H Acceptors
6
H Donors
3
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1364322-41-7 | Entacapone EP Impurity G | 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: C₁₁H₉N₃O₅
Molecular Weight: 263.21
Synonyms: 2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-methylprop-2-enamide, (2E)-
SMILES: CNC(/C(C#N)=C/C1=CC([N+]([O-])=O)=C(C(O)=C1)O)=O
Tpsa: 136.49
Logp: 0.65898
H Acceptors: 6
H Donors: 3
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:
C₁₁H₉N₃O₅
Molecular Weight:
263.21
Synonyms:
2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-methylprop-2-enamide, (2E)-
SMILES:
CNC(/C(C#N)=C/C1=CC([N+]([O-])=O)=C(C(O)=C1)O)=O
Tpsa:
136.49
Logp:
0.65898
H Acceptors:
6
H Donors:
3
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: C₂₇H₄₀N₁₂O₈
Molecular Weight: 660.68
Synonyms: Bis valacyclovir
SMILES: CC(C)[C@H](N)C(OCCOCN1C2=C(N=C1)C(N=C(N2)NCNC(NC3=C4N=CN3COCCOC([C@@H](N)C(C)C)=O)=NC4=O)=O)=O
Tpsa: 274.3
Logp: -0.9647
H Acceptors: 18
H Donors: 6
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₄₀N₁₂O₈
Molecular Weight:
660.68
Synonyms:
Bis valacyclovir
SMILES:
CC(C)[C@H](N)C(OCCOCN1C2=C(N=C1)C(N=C(N2)NCNC(NC3=C4N=CN3COCCOC([C@@H](N)C(C)C)=O)=NC4=O)=O)=O
Tpsa:
274.3
Logp:
-0.9647
H Acceptors:
18
H Donors:
6
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₂₇ClFNO₂
Molecular Weight: 451.96
Synonyms: 4-Dechloro-4-(4-chlorophenyl) Haloperidol
SMILES: O=C(CCCN1CCC(C2=CC=C(C3=CC=C(Cl)C=C3)C=C2)(CC1)O)C4=CC=C(C=C4)F
Tpsa: 40.54
Logp: 6.0926
H Acceptors: 3
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:
C₂₇H₂₇ClFNO₂
Molecular Weight:
451.96
Synonyms:
4-Dechloro-4-(4-chlorophenyl) Haloperidol
SMILES:
O=C(CCCN1CCC(C2=CC=C(C3=CC=C(Cl)C=C3)C=C2)(CC1)O)C4=CC=C(C=C4)F
Tpsa:
40.54
Logp:
6.0926
H Acceptors:
3
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: C₂₇H₂₇ClFNO₂
Molecular Weight: 451.96
Synonyms: 4-Dechloro-4-(3-chlorophenyl) Haloperidol
SMILES: O=C(CCCN1CCC(C2=CC=C(C3=CC=CC(Cl)=C3)C=C2)(CC1)O)C4=CC=C(C=C4)F
Tpsa: 40.54
Logp: 6.0926
H Acceptors: 3
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:
C₂₇H₂₇ClFNO₂
Molecular Weight:
451.96
Synonyms:
4-Dechloro-4-(3-chlorophenyl) Haloperidol
SMILES:
O=C(CCCN1CCC(C2=CC=C(C3=CC=CC(Cl)=C3)C=C2)(CC1)O)C4=CC=C(C=C4)F
Tpsa:
40.54
Logp:
6.0926
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7