CS-0379731
2-Aminoethyl nicotinate nitrate Nicorandil impurity
Manufacturer: ChemScene
CAS Number: 88598-33-8
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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
C₈H₁₁N₃O₅
Molecular Weight
229.19
Synonyms
Nicorandil Impurity 3 Nitrate(Nicorandil EP Impurity C Nitrate)
SMILES
O=C(C1=CC=CN=C1)OCCN.O[N+]([O-])=O
Tpsa
128.58
Logp
-0.1506
H Acceptors
6
H Donors
2
Rotatable Bonds
3
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: C₈H₁₁N₃O₅
Molecular Weight: 229.19
Synonyms: Nicorandil Impurity 3 Nitrate(Nicorandil EP Impurity C Nitrate)
SMILES: O=C(C1=CC=CN=C1)OCCN.O[N+]([O-])=O
Tpsa: 128.58
Logp: -0.1506
H Acceptors: 6
H Donors: 2
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:
C₈H₁₁N₃O₅
Molecular Weight:
229.19
Synonyms:
Nicorandil Impurity 3 Nitrate(Nicorandil EP Impurity C Nitrate)
SMILES:
O=C(C1=CC=CN=C1)OCCN.O[N+]([O-])=O
Tpsa:
128.58
Logp:
-0.1506
H Acceptors:
6
H Donors:
2
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: C₁₃H₁₇NO
Molecular Weight: 203.28
Synonyms: N-ethyl-N-(2-methylphenyl)but-3-enamide
SMILES: O=C(CC=C)N(CC)C1=C(C)C=CC=C1
Tpsa: 20.31
Logp: 2.92402
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO
Molecular Weight:
203.28
Synonyms:
N-ethyl-N-(2-methylphenyl)but-3-enamide
SMILES:
O=C(CC=C)N(CC)C1=C(C)C=CC=C1
Tpsa:
20.31
Logp:
2.92402
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₉NO₂
Molecular Weight: 339.47
Synonyms: 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanol
SMILES: O[C@@H](C1=CC=CC=C1)C[C@@H]2N([C@@H](CCC2)C[C@@H](C3=CC=CC=C3)O)C
Tpsa: 43.7
Logp: 4.0867
H Acceptors: 3
H Donors: 2
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:
C₂₂H₂₉NO₂
Molecular Weight:
339.47
Synonyms:
2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanol
SMILES:
O[C@@H](C1=CC=CC=C1)C[C@@H]2N([C@@H](CCC2)C[C@@H](C3=CC=CC=C3)O)C
Tpsa:
43.7
Logp:
4.0867
H Acceptors:
3
H Donors:
2
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: C₁₃H₂₀N₂O₄S
Molecular Weight: 300.37
Synonyms: (2S,5R,6R)-6-((2,2-Dimethylpropanoyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
SMILES: OC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)NC(C(C)(C)C)=O)=O
Tpsa: 86.71
Logp: 0.6642
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₀N₂O₄S
Molecular Weight:
300.37
Synonyms:
(2S,5R,6R)-6-((2,2-Dimethylpropanoyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
SMILES:
OC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)NC(C(C)(C)C)=O)=O
Tpsa:
86.71
Logp:
0.6642
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2