CS-1158653
3-Hydroxy-2-methyl-5-(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-dione
Manufacturer: ChemScene
CAS Number: 77357-56-3
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₃NO₃
Molecular Weight
207.23
Synonyms
None
SMILES
O=C1C=C(C(=O)C(O)=C1C)N2CCCC2
Tpsa
57.61
Logp
0.9499
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃NO₃
Molecular Weight: 207.23
Synonyms: None
SMILES: O=C1C=C(C(=O)C(O)=C1C)N2CCCC2
Tpsa: 57.61
Logp: 0.9499
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO₃
Molecular Weight:
207.23
Synonyms:
None
SMILES:
O=C1C=C(C(=O)C(O)=C1C)N2CCCC2
Tpsa:
57.61
Logp:
0.9499
H Acceptors:
4
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: C₁₅H₁₅BrN₂
Molecular Weight: 303.20
Synonyms: None
SMILES: BrC1=CC=C2C(=C1)CCN2CC=3C=CC=C(N)C3
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₅BrN₂
Molecular Weight:
303.20
Synonyms:
None
SMILES:
BrC1=CC=C2C(=C1)CCN2CC=3C=CC=C(N)C3
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈FN₃O₂
Molecular Weight: 221.19
Synonyms: None
SMILES: N#CC=1C(F)=CC=C(C1NC2CC2)N(=O)=O
Tpsa: 78.96
Logp: 2.17988
H Acceptors: 4
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:
C₁₀H₈FN₃O₂
Molecular Weight:
221.19
Synonyms:
None
SMILES:
N#CC=1C(F)=CC=C(C1NC2CC2)N(=O)=O
Tpsa:
78.96
Logp:
2.17988
H Acceptors:
4
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: C₁₃H₁₆N₄
Molecular Weight: 228.30
Synonyms: None
SMILES: N1=CC=CC=C1C2=NN(C(N)=C2)C3CCCC3
Tpsa: 56.73
Logp: 2.6424
H Acceptors: 4
H Donors: 1
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:
C₁₃H₁₆N₄
Molecular Weight:
228.30
Synonyms:
None
SMILES:
N1=CC=CC=C1C2=NN(C(N)=C2)C3CCCC3
Tpsa:
56.73
Logp:
2.6424
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2