CS-0914241
1-(1H-benzo[d]imidazol-2-yl)-2,3-dimethyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium chloride
Manufacturer: ChemScene
CAS Number: 2730135-08-5
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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
C₁₆H₁₅ClF₃N₃O
Molecular Weight
357.76
Synonyms
None
SMILES
[Cl-].FC(F)(F)COC=1C=C[N+](C2=NC=3C=CC=CC3N2)=C(C1C)C
Tpsa
41.79
Logp
0.40154
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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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: C₁₆H₁₅ClF₃N₃O
Molecular Weight: 357.76
Synonyms: None
SMILES: [Cl-].FC(F)(F)COC=1C=C[N+](C2=NC=3C=CC=CC3N2)=C(C1C)C
Tpsa: 41.79
Logp: 0.40154
H Acceptors: 2
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:
C₁₆H₁₅ClF₃N₃O
Molecular Weight:
357.76
Synonyms:
None
SMILES:
[Cl-].FC(F)(F)COC=1C=C[N+](C2=NC=3C=CC=CC3N2)=C(C1C)C
Tpsa:
41.79
Logp:
0.40154
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅F₆N₃O₂S
Molecular Weight: 451.39
Synonyms: None
SMILES: O=S(C1=NC=2C=CC=CC2N1CC(F)(F)F)CC3=NC=CC(OCC(F)(F)F)=C3C
Tpsa: 57.01
Logp: 4.55092
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₅F₆N₃O₂S
Molecular Weight:
451.39
Synonyms:
None
SMILES:
O=S(C1=NC=2C=CC=CC2N1CC(F)(F)F)CC3=NC=CC(OCC(F)(F)F)=C3C
Tpsa:
57.01
Logp:
4.55092
H Acceptors:
5
H Donors:
0
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: C₃₀H₂₄N₄O₈
Molecular Weight: 568.53
Synonyms: None
SMILES: O=C1OC(=C(O1)CN2C(=O)ON=C2C=3C=CC=CC3C=4C=CC(=CC4)CN5C(=NC=6C=CC=C(C(=O)O)C65)OCC)C
Tpsa: 155.73
Logp: 4.56812
H Acceptors: 11
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:
C₃₀H₂₄N₄O₈
Molecular Weight:
568.53
Synonyms:
None
SMILES:
O=C1OC(=C(O1)CN2C(=O)ON=C2C=3C=CC=CC3C=4C=CC(=CC4)CN5C(=NC=6C=CC=C(C(=O)O)C65)OCC)C
Tpsa:
155.73
Logp:
4.56812
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
9
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₂N₂O₂
Molecular Weight: 298.38
Synonyms: None
SMILES: C(CNC[C@H](O)C1=CC=CC=C1)C2=CC=C(NC(C)=O)C=C2
Tpsa: 61.36
Logp: 2.5107
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 7
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₂N₂O₂
Molecular Weight:
298.38
Synonyms:
None
SMILES:
C(CNC[C@H](O)C1=CC=CC=C1)C2=CC=C(NC(C)=O)C=C2
Tpsa:
61.36
Logp:
2.5107
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
7