CS-1002629
Quinolinium, 2-[(1E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methyl-6-(methylamino)-, 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate] 2:1
Manufacturer: ChemScene
CAS Number: 2136666-30-1
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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
C₄₈H₄₀N₃O₆-
Molecular Weight
754.85
Synonyms
None
SMILES
C(C=1C2=C(C=C(C([O-])=O)C1O)C=CC=C2)C=3C4=C(C=C(C([O-])=O)C3O)C=CC=C4.CC=1N(C(C)=CC1/C=C/C2=[N+](C)C3=C(C=C2)C=C(NC)C=C3)C4=CC=CC=C4
Tpsa
141.56
Logp
7.00594
H Acceptors
8
H Donors
3
Rotatable Bonds
8
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: C₄₈H₄₀N₃O₆-
Molecular Weight: 754.85
Synonyms: None
SMILES: C(C=1C2=C(C=C(C([O-])=O)C1O)C=CC=C2)C=3C4=C(C=C(C([O-])=O)C3O)C=CC=C4.CC=1N(C(C)=CC1/C=C/C2=[N+](C)C3=C(C=C2)C=C(NC)C=C3)C4=CC=CC=C4
Tpsa: 141.56
Logp: 7.00594
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₄₀N₃O₆-
Molecular Weight:
754.85
Synonyms:
None
SMILES:
C(C=1C2=C(C=C(C([O-])=O)C1O)C=CC=C2)C=3C4=C(C=C(C([O-])=O)C3O)C=CC=C4.CC=1N(C(C)=CC1/C=C/C2=[N+](C)C3=C(C=C2)C=C(NC)C=C3)C4=CC=CC=C4
Tpsa:
141.56
Logp:
7.00594
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
8
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃NO
Molecular Weight: 163.22
Synonyms: None
SMILES: O1CNC(C=2C=CC=CC2)CC1
Tpsa: 21.26
Logp: 1.6951
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃NO
Molecular Weight:
163.22
Synonyms:
None
SMILES:
O1CNC(C=2C=CC=CC2)CC1
Tpsa:
21.26
Logp:
1.6951
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₂N₂S
Molecular Weight: 298.45
Synonyms: None
SMILES: S(C1=CC=CC(=C1)N2CCNCC2)C3=CC=C(C=C3C)C
Tpsa: 15.27
Logp: 3.86424
H Acceptors: 3
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:
C₁₈H₂₂N₂S
Molecular Weight:
298.45
Synonyms:
None
SMILES:
S(C1=CC=CC(=C1)N2CCNCC2)C3=CC=C(C=C3C)C
Tpsa:
15.27
Logp:
3.86424
H Acceptors:
3
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: C₂₁H₂₀O
Molecular Weight: 288.38
Synonyms: None
SMILES: O(CC)C(C=1C=CC=CC1)C=2C=CC(=CC2)C=3C=CC=CC3
Tpsa: 9.23
Logp: 5.4795
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₀O
Molecular Weight:
288.38
Synonyms:
None
SMILES:
O(CC)C(C=1C=CC=CC1)C=2C=CC(=CC2)C=3C=CC=CC3
Tpsa:
9.23
Logp:
5.4795
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5