CS-1002860
Nicorandil Impurity 13
Manufacturer: ChemScene
CAS Number: 2250142-71-1
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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
C₁₆H₁₈IN₅O₅
Molecular Weight
487.25
Synonyms
None
SMILES
[I-].O=C(NCC[N+]=1C=CC=C(C1)C(=O)NCCON(=O)=O)C=2C=NC=CC2
Tpsa
127.34
Logp
-3.2588
H Acceptors
6
H Donors
2
Rotatable Bonds
9
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: C₁₆H₁₈IN₅O₅
Molecular Weight: 487.25
Synonyms: None
SMILES: [I-].O=C(NCC[N+]=1C=CC=C(C1)C(=O)NCCON(=O)=O)C=2C=NC=CC2
Tpsa: 127.34
Logp: -3.2588
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈IN₅O₅
Molecular Weight:
487.25
Synonyms:
None
SMILES:
[I-].O=C(NCC[N+]=1C=CC=C(C1)C(=O)NCCON(=O)=O)C=2C=NC=CC2
Tpsa:
127.34
Logp:
-3.2588
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈BrN₅O₅
Molecular Weight: 440.25
Synonyms: None
SMILES: [Br-].O=C(NCC[N+]=1C=CC=C(C1)C(=O)NCCON(=O)=O)C=2C=NC=CC2
Tpsa: 127.34
Logp: -3.2588
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈BrN₅O₅
Molecular Weight:
440.25
Synonyms:
None
SMILES:
[Br-].O=C(NCC[N+]=1C=CC=C(C1)C(=O)NCCON(=O)=O)C=2C=NC=CC2
Tpsa:
127.34
Logp:
-3.2588
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂BNO₄
Molecular Weight: 351.20
Synonyms: None
SMILES: N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)CO)C=C1
Tpsa: 71.71
Logp: 3.14208
H Acceptors: 5
H Donors: 1
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:
C₂₀H₂₂BNO₄
Molecular Weight:
351.20
Synonyms:
None
SMILES:
N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)CO)C=C1
Tpsa:
71.71
Logp:
3.14208
H Acceptors:
5
H Donors:
1
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: C₃₄H₃₈N₂O₇
Molecular Weight: 586.67
Synonyms: None
SMILES: C([C@@H](CNC(OC(C)(C)C)=O)C1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)(=O)N3[C@H](CC4=CC=CC=C4)COC3=O
Tpsa: 111.24
Logp: 5.85884
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₈N₂O₇
Molecular Weight:
586.67
Synonyms:
None
SMILES:
C([C@@H](CNC(OC(C)(C)C)=O)C1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)(=O)N3[C@H](CC4=CC=CC=C4)COC3=O
Tpsa:
111.24
Logp:
5.85884
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
9