CS-0565148
1,1'-(1,4-Phenylenebis(methylene))bis(4-carboxypyridin-1-ium) chloride
Manufacturer: ChemScene
CAS Number: 2149574-29-6
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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
C₂₀H₁₈Cl₂N₂O₄
Molecular Weight
421.27
Synonyms
Pyridinium, 1,?1'-?[1,?4-?phenylenebis(methyle?ne)?]?bis[4-?carboxy-?, choloride
SMILES
O=C(C1=CC=[N+](CC2=CC=C(C[N+]3=CC=C(C(O)=O)C=C3)C=C2)C=C1)O.[Cl-].[Cl-]
Tpsa
82.36
Logp
-4.2374
H Acceptors
2
H Donors
2
Rotatable Bonds
6
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SAFETY INFORMATION
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: C₂₀H₁₈Cl₂N₂O₄
Molecular Weight: 421.27
Synonyms: Pyridinium, 1,?1'-?[1,?4-?phenylenebis(methyle?ne)?]?bis[4-?carboxy-?, choloride
SMILES: O=C(C1=CC=[N+](CC2=CC=C(C[N+]3=CC=C(C(O)=O)C=C3)C=C2)C=C1)O.[Cl-].[Cl-]
Tpsa: 82.36
Logp: -4.2374
H Acceptors: 2
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:
C₂₀H₁₈Cl₂N₂O₄
Molecular Weight:
421.27
Synonyms:
Pyridinium, 1,?1'-?[1,?4-?phenylenebis(methyle?ne)?]?bis[4-?carboxy-?, choloride
SMILES:
O=C(C1=CC=[N+](CC2=CC=C(C[N+]3=CC=C(C(O)=O)C=C3)C=C2)C=C1)O.[Cl-].[Cl-]
Tpsa:
82.36
Logp:
-4.2374
H Acceptors:
2
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: C₃₆H₂₇N₃
Molecular Weight: 501.62
Synonyms: None
SMILES: N1(C2=CC=C(C3=CC(C4=CC=C(N5C=CC=C5)C=C4)=CC(C6=CC=C(N7C=CC=C7)C=C6)=C3)C=C2)C=CC=C1
Tpsa: 14.79
Logp: 9.0597
H Acceptors: 3
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:
C₃₆H₂₇N₃
Molecular Weight:
501.62
Synonyms:
None
SMILES:
N1(C2=CC=C(C3=CC(C4=CC=C(N5C=CC=C5)C=C4)=CC(C6=CC=C(N7C=CC=C7)C=C6)=C3)C=C2)C=CC=C1
Tpsa:
14.79
Logp:
9.0597
H Acceptors:
3
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: C₁₀H₆O₄Se₂
Molecular Weight: 348.07
Synonyms: 2,2'-biselenophene]-5,5'-dicarboxylic acid
SMILES: O=C(C1=CC=C(C2=CC=C(C(O)=O)[Se]2)[Se]1)O
Tpsa: 74.6
Logp: 0.864
H Acceptors: 2
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:
C₁₀H₆O₄Se₂
Molecular Weight:
348.07
Synonyms:
2,2'-biselenophene]-5,5'-dicarboxylic acid
SMILES:
O=C(C1=CC=C(C2=CC=C(C(O)=O)[Se]2)[Se]1)O
Tpsa:
74.6
Logp:
0.864
H Acceptors:
2
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: C₂₀H₁₁N₉
Molecular Weight: 377.36
Synonyms: 5,6,7,15,16,17,24,25,26-nonaazaoctacyclo[9.9.9.0(2,10).0(4,8).0(12,20).0(14,18).0(21,29).0(23,27)]nonacosa-2,4(8),5,9,12,14(18),15,19,21(29),22,24,27-dodecaene
SMILES: C1(C2=CC(NN=N3)=C3C=C24)C5=CC(NN=N6)=C6C=C5C4C7=CC8=C(NN=N8)C=C17
Tpsa: 124.71
Logp: 2.4877
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₁N₉
Molecular Weight:
377.36
Synonyms:
5,6,7,15,16,17,24,25,26-nonaazaoctacyclo[9.9.9.0(2,10).0(4,8).0(12,20).0(14,18).0(21,29).0(23,27)]nonacosa-2,4(8),5,9,12,14(18),15,19,21(29),22,24,27-dodecaene
SMILES:
C1(C2=CC(NN=N3)=C3C=C24)C5=CC(NN=N6)=C6C=C5C4C7=CC8=C(NN=N8)C=C17
Tpsa:
124.71
Logp:
2.4877
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
0